data_2lw1_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 2lw1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.417 ' HG3' HD11 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.419 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.46 ' HZ1' HD11 ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.46 HD11 ' HZ1' ' A' ' 583' ' ' LYS . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.484 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.484 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 13.3 mm100 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . 0.449 ' CG ' ' HZ3' ' A' ' 583' ' ' LYS . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.646 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.463 HD11 HD13 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.646 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.738 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.498 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 3.3 tmmm? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.437 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.738 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG21 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' SER . . . . . 0.423 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.549 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.549 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.419 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.432 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.46 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.619 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.412 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.85 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.85 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.403 ' HD3' ' N ' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.747 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.408 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 591' ' ' VAL . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.514 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.514 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 23.7 mm-40 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.428 ' O ' HD22 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.746 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.42 ' HA ' HD12 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 4.2 tmmm? . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.467 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.579 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.432 ' HA ' HD23 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 588' ' ' GLN . 5.2 mm100 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 26.9 mm-40 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.458 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.458 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.528 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.686 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 15.6 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.686 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.593 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.593 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.414 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.466 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 592' ' ' ALA . 3.4 mm100 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.441 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.69 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.69 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.402 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.466 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD21 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' HB3' HD13 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.769 ' HB3' HD12 ' A' ' 566' ' ' LEU . 19.0 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.769 HD12 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.547 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 590' ' ' GLN . 0.0 OUTLIER -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.42 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.674 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.491 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.674 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.42 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.75 ' HA ' HE21 ' A' ' 620' ' ' GLN . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 577' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.707 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.75 HE21 ' HA ' ' A' ' 617' ' ' GLU . 28.6 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.426 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.596 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 25.1 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 3.2 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.557 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.599 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 25.6 mm-40 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.441 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.579 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.579 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.486 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 577' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.766 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.422 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.414 ' HE1' HD11 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.414 HD11 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.476 ' HG3' HD13 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.476 HD13 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.713 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.713 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.543 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.536 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.504 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.536 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.504 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.543 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 577' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.688 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.444 ' HB2' HD23 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.557 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.505 ' HE2' HD22 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 596' ' ' PHE . 21.1 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.716 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 72.3 t60 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 577' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.677 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.748 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.572 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.53 ' HB3' ' HZ3' ' A' ' 565' ' ' LYS . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.572 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.556 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.494 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.873 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.873 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.508 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.466 ' OE1' HD13 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.404 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.434 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.423 ' CA ' HD23 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.572 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.445 ' O ' HD21 ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.402 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.543 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.522 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.522 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 25.0 mm-40 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.402 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.613 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.614 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.614 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.45 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.674 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.674 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 0.0 OUTLIER -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.47 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.649 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.649 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.421 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 28.7 mm-40 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.47 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 573' ' ' LEU . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.689 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.415 ' HB2' HD21 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.611 ' CE1' HD11 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.48 ' HG3' HD13 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 565' ' ' LYS . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.697 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.707 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.505 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 49.1 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.404 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.639 ' CD2' ' HG2' ' A' ' 605' ' ' GLN . 83.4 t60 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.639 ' HG2' ' CD2' ' A' ' 601' ' ' HIS . 0.4 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.73 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.426 ' HB2' HD21 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.53 ' H ' HD11 ' A' ' 566' ' ' LEU . 32.4 t . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.626 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 563' ' ' SER . 23.3 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.626 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.441 HD11 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.459 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.469 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.477 HE21 HD13 ' A' ' 608' ' ' LEU . 23.0 mm-40 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.409 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.477 HD13 HE21 ' A' ' 605' ' ' GLN . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.488 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.561 HD13 HD21 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 27.8 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.634 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.471 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.709 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.709 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.495 HD23 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 15.6 mm100 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.574 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.574 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.561 HD21 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.722 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.611 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.557 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.722 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . 0.569 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.421 ' NE2' HD11 ' A' ' 608' ' ' LEU . 19.5 mm-40 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 605' ' ' GLN . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.433 ' HA ' ' OE1' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.506 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.582 HD22 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 41.1 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 588' ' ' GLN . 4.5 mm100 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 13.2 mm100 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.452 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' SER . . . . . 0.452 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.493 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.493 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.4 mm100 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.618 ' HA ' HE21 ' A' ' 620' ' ' GLN . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.618 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.8 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD21 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.464 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.464 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.624 HD21 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.602 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 33.6 mm-40 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.472 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 607' ' ' VAL . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.472 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.84 ' HA ' HE21 ' A' ' 620' ' ' GLN . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 577' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.84 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.1 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.408 ' HB2' HD23 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.424 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.424 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.616 ' HB2' ' HZ3' ' A' ' 632' ' ' LYS . 10.8 mtmp? . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.677 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 565' ' ' LYS . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 29.3 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.632 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.455 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 591' ' ' VAL . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.427 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.5 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.692 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.692 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . 0.411 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.419 ' HB2' HD23 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.418 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.418 HD13 ' HE1' ' A' ' 627' ' ' TYR . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.253 0.549 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.585 HD22 HD23 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 2.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.619 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' PRO . . . . . 0.557 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' HIS . . . . . 0.466 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.557 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' THR . . . . . 0.535 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.466 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 11.3 mm100 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . 0.432 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' GLN . . . . . 0.499 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.685 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' TRP . . . . . 0.41 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.767 0.318 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 61.14 40.47 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.777 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.27 19.65 12.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.696 0.76 . . . . 0.0 108.958 170.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 36.0 p -70.73 165.31 23.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.436 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.23 96.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.421 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -82.34 52.32 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.376 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.576 ' HA ' ' OG ' ' A' ' 560' ' ' SER . 5.0 mpt_? 58.77 41.64 21.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.971 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.2 p -83.73 -48.96 9.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.057 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 11.7 p -129.0 72.44 1.46 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.25 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.576 ' OG ' ' HA ' ' A' ' 557' ' ' ARG . 7.5 p -138.38 -2.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.664 ' HA ' ' HA3' ' A' ' 635' ' ' GLY . 26.3 ttpp -64.51 -39.07 93.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.167 0.508 . . . . 0.0 110.029 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 566' ' ' LEU . 14.3 mt -157.81 155.32 29.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.417 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t -120.38 165.36 15.01 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 169.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.417 ' HG3' HD11 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.419 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.46 ' HZ1' HD11 ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.46 HD11 ' HZ1' ' A' ' 583' ' ' LYS . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.484 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.484 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 13.3 mm100 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . 0.449 ' CG ' ' HZ3' ' A' ' 583' ' ' LYS . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.646 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.463 HD11 HD13 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.646 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.738 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.498 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 3.3 tmmm? -59.68 -28.16 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -90.03 -26.77 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.31 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -145.34 88.79 0.16 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.865 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.664 ' HA3' ' HA ' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.255 1.427 0 CA-C-O 118.211 -1.327 . . . . 0.0 111.371 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -93.81 111.75 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.57 120.84 30.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.093 0.473 . . . . 0.0 110.813 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 5.4 p -111.04 138.83 46.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.681 173.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 13.0 t -75.26 -63.84 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.914 -173.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 51.46 61.75 3.06 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 111.055 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 557' ' ' ARG . 27.8 ptt85 -101.21 22.73 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.009 -176.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 35.4 m -75.6 69.74 2.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 52.2 m -155.22 135.73 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.882 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 24.1 m -66.6 109.2 2.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 0.0 110.169 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -99.97 -172.61 2.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.149 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -73.78 173.74 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -173.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m -70.64 158.15 36.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.656 176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.437 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.738 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG21 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' SER . . . . . 0.423 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.549 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.549 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.419 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.432 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.46 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.619 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.412 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -75.66 -31.25 59.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -75.63 -34.85 60.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.55 87.96 0.12 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.234 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.279 -178.474 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -135.46 103.18 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.712 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -96.8 112.17 24.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.038 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 47.3 p -84.76 135.84 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.083 0.468 . . . . 0.0 110.829 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.9 p -104.65 -43.93 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.401 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 61.94 80.66 0.22 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.03 0.443 . . . . 0.0 111.293 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -81.89 -39.41 23.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 23.2 p -179.84 -48.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.787 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 146.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.046 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 58.1 m -151.37 87.18 1.37 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.453 ' HG3' ' OXT' ' A' ' 635' ' ' GLY . 9.7 tttp -54.57 -53.86 49.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.118 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.7 mt -128.84 117.3 20.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.344 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.85 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m -71.76 152.48 42.7 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.222 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.747 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.85 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.403 ' HD3' ' N ' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.747 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.408 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 591' ' ' VAL . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.514 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.514 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 23.7 mm-40 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.428 ' O ' HD22 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.746 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.42 ' HA ' HD12 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 4.2 tmmm? -64.89 -26.31 68.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.07 -36.88 10.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -124.27 60.58 0.6 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.077 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.453 ' OXT' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 111.466 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.708 0.289 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.76 115.17 27.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.888 0.375 . . . . 0.0 110.684 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -143.63 118.51 9.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 29.6 p -94.77 119.1 32.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.65 89.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.878 0.847 . . . . 0.0 110.839 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.81 -2.64 53.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.121 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 557' ' ' ARG . 1.8 mpp_? -100.22 72.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.114 0.483 . . . . 0.0 110.615 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 65.7 m -82.52 -177.22 6.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.583 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m 60.73 38.58 18.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.41 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.7 m -80.56 116.03 20.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.941 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -100.89 -142.69 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.886 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 566' ' ' LEU . 0.2 OUTLIER -75.44 79.72 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.335 0.588 . . . . 0.0 110.795 -175.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t -65.67 165.26 12.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.178 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.467 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.661 HD21 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.579 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.432 ' HA ' HD23 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 588' ' ' GLN . 5.2 mm100 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 26.9 mm-40 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.458 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.458 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.528 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -56.9 -37.19 71.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -79.94 -35.87 37.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.55 120.4 0.96 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.845 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.319 -1.267 . . . . 0.0 111.731 178.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.465 0.65 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -105.7 53.82 0.71 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.654 0.74 . . . . 0.0 109.257 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.69 60.01 5.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.452 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 22.2 p -89.15 100.44 13.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.984 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.39 134.67 28.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.779 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -72.78 92.24 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.303 0.573 . . . . 0.0 110.008 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -123.82 23.0 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 44.7 m -81.77 59.42 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.61 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 46.7 m -135.13 84.24 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.408 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.8 p -89.19 139.14 30.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.625 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -155.32 -42.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.131 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.7 ' HG ' ' HB2' ' A' ' 566' ' ' LEU . 7.2 tp -159.07 106.33 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m -65.2 165.61 11.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.761 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.686 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.7 ' HB2' ' HG ' ' A' ' 562' ' ' LEU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 15.6 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.686 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.593 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.593 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.414 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.466 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 592' ' ' ALA . 3.4 mm100 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.441 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.69 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.69 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.402 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.466 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD21 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' HB3' HD13 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.671 ' HD3' HD22 ' A' ' 562' ' ' LEU . 24.6 ttpp -58.36 -35.86 72.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -75.86 -36.75 59.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.024 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.27 99.1 0.18 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.957 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.11 -1.383 . . . . 0.0 111.2 176.239 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.77 68.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.97 120.78 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 40.8 p -109.87 160.01 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.78 131.36 73.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.09 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -86.41 110.28 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.243 0.544 . . . . 0.0 110.538 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -147.9 -28.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.454 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.7 t -75.46 -19.42 59.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 18.0 m -68.7 -58.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.021 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 12.4 t -139.36 119.99 14.15 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.737 ' O ' ' HA ' ' A' ' 632' ' ' LYS . 14.8 ptpt -101.7 -39.64 7.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 561' ' ' LYS . 9.9 mt -175.05 163.52 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.326 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.769 ' HB3' HD12 ' A' ' 566' ' ' LEU . 19.0 t -93.22 151.65 19.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.769 HD12 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.547 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 590' ' ' GLN . 0.0 OUTLIER -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.42 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.674 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.491 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.674 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.42 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.75 ' HA ' HE21 ' A' ' 620' ' ' GLN . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 577' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.707 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.75 HE21 ' HA ' ' A' ' 617' ' ' GLU . 28.6 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.426 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.737 ' HA ' ' O ' ' A' ' 561' ' ' LYS . 29.4 ttpt -62.99 -29.74 71.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.75 -27.52 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.92 81.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.76 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.735 -1.036 . . . . 0.0 111.738 177.349 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -162.56 -49.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.674 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.68 115.37 22.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.075 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 8.2 p -73.24 173.69 9.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.598 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.01 -69.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.789 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? 44.17 63.04 1.76 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.73 0.776 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -112.27 107.24 16.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.942 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 9.0 t 72.44 151.77 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.942 0.776 . . . . 0.0 111.67 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 14.8 m -83.69 128.02 34.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.323 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 16.0 m -87.6 -91.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.443 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 45.5 mmtm -147.35 120.0 8.58 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 mt 59.49 -163.99 0.22 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.715 0.769 . . . . 0.0 111.515 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t -115.17 157.87 23.04 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 170.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.596 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 25.1 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 3.2 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.557 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.599 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 25.6 mm-40 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.441 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.579 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.579 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.486 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.428 HD11 HD13 ' A' ' 577' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.766 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.422 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.414 ' HE1' HD11 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.414 HD11 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.443 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 9.5 ttmt -59.81 -22.1 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -65.74 -34.53 78.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.589 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.96 58.75 0.33 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.861 0 CA-C-O 118.552 -1.138 . . . . 0.0 112.0 -175.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.482 0.182 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 60.87 -90.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.271 0.629 . . . . 0.0 112.018 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.57 96.57 10.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 76.3 p 59.73 131.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.72 1.208 . . . . 0.0 113.216 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 14.6 p -102.57 -13.33 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.934 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.62 -83.64 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.308 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 56.78 79.13 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.368 0.417 . . . . 0.0 110.709 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.0 t 63.95 78.14 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.18 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 40.7 m -142.87 2.51 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.3 p -139.82 76.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -99.57 -59.85 1.64 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.427 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -159.65 85.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -72.05 163.34 28.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.206 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.476 ' HG3' HD13 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.476 HD13 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.713 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.713 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.543 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.536 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.504 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.536 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.504 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.543 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.405 HD12 HD11 ' A' ' 577' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.688 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.444 ' HB2' HD23 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -61.35 -30.62 70.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -88.06 -35.8 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.694 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.35 109.07 0.44 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.748 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.808 0 CA-C-O 118.873 -0.96 . . . . 0.0 111.699 -178.712 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.77 -169.04 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.778 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -154.36 -66.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.41 0.624 . . . . 0.0 109.846 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.584 HG21 ' H ' ' A' ' 555' ' ' VAL . 1.3 t -123.71 -59.95 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.71 173.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.584 ' H ' HG21 ' A' ' 554' ' ' THR . 45.7 t -126.02 -55.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 174.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 21.9 tptm 64.46 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.645 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -77.72 73.26 4.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.621 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 33.2 t -73.3 121.96 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.569 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m -88.86 67.69 8.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.0 t 59.95 75.63 0.4 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.762 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -70.04 121.21 17.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.511 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 562' ' ' LEU . 0.4 OUTLIER 63.88 95.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.109 177.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t -74.65 161.13 29.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.293 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.557 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.505 ' HE2' HD22 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 596' ' ' PHE . 21.1 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.716 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 72.3 t60 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.716 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 577' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.677 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.748 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? -67.22 -31.01 71.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -105.77 -37.02 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -108.46 57.7 0.42 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.012 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.376 -1.236 . . . . 0.0 110.797 171.128 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.139 0.495 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -165.87 -52.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.68 59.63 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.416 0.627 . . . . 0.0 110.223 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.75 HG22 HG23 ' A' ' 555' ' ' VAL . 37.2 m -128.84 140.09 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.764 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.75 HG23 HG22 ' A' ' 554' ' ' THR . 65.8 t 68.06 104.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.503 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.98 94.13 5.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.247 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -73.0 75.02 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.151 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 31.7 t -90.77 122.62 33.67 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.453 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 28.8 t -135.73 126.63 27.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.115 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.7 m -95.35 30.94 2.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.04 -100.43 0.07 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.259 -171.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 2.5 mp -152.18 178.56 9.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 174.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.572 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m -59.45 143.5 49.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 168.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.53 ' HB3' ' HZ3' ' A' ' 565' ' ' LYS . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.572 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.556 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.494 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.404 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.873 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.873 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.508 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.466 ' OE1' HD13 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.404 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.434 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.423 ' CA ' HD23 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.55 -33.5 66.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.36 -24.0 63.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -140.77 58.41 0.58 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.508 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.425 -1.208 . . . . 0.0 111.818 175.034 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 555' ' ' VAL . 21.0 pttp . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.495 0.188 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.91 136.92 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 72.87 -59.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.942 0.776 . . . . 0.0 109.979 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 24.6 p -117.13 124.58 49.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.017 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 551' ' ' LYS . 35.3 m -89.7 148.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.685 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -91.53 70.27 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.895 0.855 . . . . 0.0 109.145 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -136.78 56.38 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.438 -1.255 . . . . 0.0 108.848 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -66.96 120.39 13.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.39 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 31.2 t -110.21 150.58 28.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.41 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.4 p -70.87 105.13 3.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.85 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt 73.66 155.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.982 0.802 . . . . 0.0 110.349 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -67.31 155.17 39.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.685 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t -83.14 173.42 11.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.858 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.572 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.445 ' O ' HD21 ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.402 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.543 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.522 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.522 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 25.0 mm-40 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.402 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.613 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.614 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.614 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 562' ' ' LEU . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? -76.77 -40.6 47.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.08 -34.97 22.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.43 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -144.22 65.98 0.45 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.537 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.929 177.542 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.374 0.131 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 66.5 105.45 0.04 OUTLIER 'General case' 0 C--O 1.232 0.14 0 O-C-N 123.822 0.702 . . . . 0.0 111.005 -174.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.4 60.44 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.138 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 3.4 t -93.28 -45.73 7.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.051 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.32 149.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 0.0 110.453 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -122.3 -16.89 7.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.989 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 54.28 29.36 10.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.691 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.0 t -96.05 63.33 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.206 0.527 . . . . 0.0 110.214 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 23.2 t -89.76 -5.13 57.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.4 t -102.8 116.23 32.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.432 ' HZ2' ' C ' ' A' ' 635' ' ' GLY . 34.6 ttmt -87.14 67.39 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 110.379 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER -143.18 77.49 1.57 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.922 177.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t -64.18 159.81 19.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.152 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.45 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.674 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.673 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.674 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.442 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 0.0 OUTLIER -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.47 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.649 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.649 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.421 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 28.7 mm-40 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.47 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 573' ' ' LEU . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.689 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.415 ' HB2' HD21 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.611 ' CE1' HD11 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -56.49 -36.65 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -95.65 -35.47 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.093 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.62 115.04 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.063 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.432 ' C ' ' HZ2' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.464 -1.187 . . . . 0.0 111.583 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.361 0.124 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.0 -71.38 0.19 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.574 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.43 -62.31 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 0.0 110.223 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 16.0 p -95.22 129.52 42.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.33 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 9.0 p -82.17 137.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -74.42 77.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.317 0.579 . . . . 0.0 111.183 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -136.35 177.42 7.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 42.5 m 57.77 66.27 1.16 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.269 0.556 . . . . 0.0 110.574 -176.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 20.6 m -73.34 -4.22 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.892 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.7 m -81.73 54.01 2.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.691 0.757 . . . . 0.0 109.854 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 631' ' ' LEU . 22.5 tptm -122.02 114.02 20.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.314 -173.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER 55.6 77.25 0.23 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.804 0.69 . . . . 0.0 109.976 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t -63.12 161.04 14.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.416 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.48 ' HG3' HD13 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 565' ' ' LYS . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.697 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.707 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.505 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 49.1 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.404 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.639 ' CD2' ' HG2' ' A' ' 605' ' ' GLN . 83.4 t60 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.639 ' HG2' ' CD2' ' A' ' 601' ' ' HIS . 0.4 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.73 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.426 ' HB2' HD21 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.478 ' O ' ' HE3' ' A' ' 561' ' ' LYS . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt -63.78 -46.18 86.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -74.84 -35.62 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.434 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.22 106.84 0.35 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.091 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.378 -179.53 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 69.63 109.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.034 0.834 . . . . 0.0 109.291 -170.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.57 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.644 0.735 . . . . 0.0 109.498 -167.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 11.2 p -74.99 155.07 37.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.363 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.55 101.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.758 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -73.17 -31.1 64.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.021 0.438 . . . . 0.0 110.208 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 63.11 28.92 16.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.984 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.941 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' SER . . . . . 0.422 ' C ' ' HG ' ' A' ' 560' ' ' SER . 47.4 m -117.86 27.75 8.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 559' ' ' SER . 60.8 p 53.51 -83.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 O-C-N 124.1 0.875 . . . . 0.0 110.871 -170.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 73.34 -68.09 0.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.408 0.683 . . . . 0.0 111.906 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 6.5 tp -155.86 130.38 8.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.087 0.47 . . . . 0.0 110.396 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.53 ' H ' HD11 ' A' ' 566' ' ' LEU . 32.4 t -98.39 164.6 12.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.295 176.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.626 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.662 HD21 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 563' ' ' SER . 23.3 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.626 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.441 HD11 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.459 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.469 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.477 HE21 HD13 ' A' ' 608' ' ' LEU . 23.0 mm-40 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.409 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.477 HD13 HE21 ' A' ' 605' ' ' GLN . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.488 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.662 HD22 HD21 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.24 -47.03 87.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -82.35 -35.81 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.526 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -116.73 57.78 0.5 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.457 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.982 176.548 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.363 0.125 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 70.57 164.63 0.27 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.036 0.835 . . . . 0.0 112.729 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -166.27 123.83 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.86 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 13.1 p -68.59 130.31 42.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.141 0.496 . . . . 0.0 111.181 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.5 133.57 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.934 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -112.93 106.88 15.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.984 0.421 . . . . 0.0 110.123 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.86 79.63 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.4 m -98.16 16.46 21.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 15.5 t -157.58 112.44 2.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.9 t -155.03 63.86 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.729 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 46.7 mmtm 68.79 -76.64 0.06 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.495 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.51 ' CD1' ' HG3' ' A' ' 632' ' ' LYS . 11.9 mt -137.56 173.64 11.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t -82.64 149.82 27.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.561 HD13 HD21 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 27.8 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.634 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.471 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.709 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.709 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.495 HD23 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 15.6 mm100 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.574 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.574 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.561 HD21 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.729 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 24.0 ttmt -62.23 -39.75 93.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -85.67 -32.6 21.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.836 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -138.59 105.18 0.47 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.917 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.553 -1.137 . . . . 0.0 111.911 -179.083 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 57.8 mttp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.828 0.347 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.92 60.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.017 0.436 . . . . 0.0 109.939 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 56.74 -88.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.827 -1.078 . . . . 0.0 112.292 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 81.0 m -161.82 -27.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.475 0.655 . . . . 0.0 109.957 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 557' ' ' ARG . 3.5 t -88.19 131.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.929 -175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -94.56 54.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.468 ' HB2' HG11 ' A' ' 555' ' ' VAL . 21.1 tpt180 -119.7 131.39 55.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -171.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 58.6 p -109.42 -22.89 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.288 0.566 . . . . 0.0 109.671 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 m -88.29 34.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.009 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.0 m -66.2 -61.26 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 109.416 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -128.94 131.1 47.49 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.5 OUTLIER -49.79 117.74 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.216 1.008 . . . . 0.0 113.349 -166.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t -64.65 171.64 3.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.64 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.722 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 562' ' ' LEU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.611 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.557 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.722 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . 0.569 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.421 ' NE2' HD11 ' A' ' 608' ' ' LEU . 19.5 mm-40 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 605' ' ' GLN . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.433 ' HA ' ' OE1' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.506 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -78.67 -35.55 45.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.841 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.72 115.57 0.67 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 119.071 -0.85 . . . . 0.0 111.812 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.976 0.417 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -146.35 71.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.56 110.16 12.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.409 -172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 3.7 m -141.16 18.24 2.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.795 0.807 . . . . 0.0 109.375 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.648 HG21 ' HG2' ' A' ' 557' ' ' ARG . 3.1 p -136.57 -44.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.544 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt 61.29 -91.67 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.05 0.54 . . . . 0.0 111.789 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.648 ' HG2' HG21 ' A' ' 555' ' ' VAL . 25.9 mmt180 55.44 -156.61 0.25 Allowed 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.735 0.647 . . . . 0.0 110.349 -177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -99.58 -31.79 11.42 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 166.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 48.7 m 57.24 -93.7 0.04 OUTLIER 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.423 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.3 t -160.98 112.71 1.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 561' ' ' LYS . 32.5 ttpt -106.88 -53.67 2.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.455 0.645 . . . . 0.0 109.57 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' A' ' 566' ' ' LEU . 0.7 OUTLIER -125.76 89.44 3.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t -62.53 155.15 26.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.497 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.582 HD22 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 41.1 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 588' ' ' GLN . 4.5 mm100 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 13.2 mm100 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.452 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' SER . . . . . 0.452 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.493 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.493 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.4 mm100 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.618 ' HA ' HE21 ' A' ' 620' ' ' GLN . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.618 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.8 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD21 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.464 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.464 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.66 -29.94 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -91.04 -36.54 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.776 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -142.12 103.22 0.32 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.342 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.83 -0.983 . . . . 0.0 111.682 179.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.755 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.43 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.269 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.92 -67.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.606 ' O ' HG22 ' A' ' 555' ' ' VAL . 50.6 m 63.75 100.11 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.694 0.621 . . . . 0.0 110.855 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 554' ' ' THR . 2.3 m 63.36 135.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.3 1.44 . . . . 0.0 112.385 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -84.39 55.64 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.801 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 68.84 -70.77 0.13 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.963 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.7 m -156.02 110.67 2.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.366 . . . . 0.0 110.305 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 37.7 t -92.47 126.45 37.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.404 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.8 t -70.05 -14.84 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.925 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.897 ' HG3' ' HA3' ' A' ' 635' ' ' GLY . 35.2 ttpt 70.7 -67.52 0.24 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.337 177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.467 HD13 ' HG2' ' A' ' 567' ' ' GLN . 0.7 OUTLIER -116.18 101.94 9.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t -70.13 145.97 51.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.624 HD21 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.467 ' HG2' HD13 ' A' ' 562' ' ' LEU . 0.2 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.602 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 33.6 mm-40 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.472 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 607' ' ' VAL . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.472 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.84 ' HA ' HE21 ' A' ' 620' ' ' GLN . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 577' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.84 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.1 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.408 ' HB2' HD23 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.424 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.424 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.616 ' HB2' ' HZ3' ' A' ' 632' ' ' LYS . 10.8 mtmp? -67.55 -23.0 65.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -90.73 -35.68 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.71 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -133.86 80.64 0.32 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.231 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.897 ' HA3' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.759 -1.023 . . . . 0.0 112.152 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.565 0.221 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.1 28.6 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.237 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.2 68.82 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.142 0.496 . . . . 0.0 110.267 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.703 HG21 HG23 ' A' ' 555' ' ' VAL . 7.7 t -83.23 -35.97 24.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.703 HG23 HG21 ' A' ' 554' ' ' THR . 41.8 t -105.33 126.18 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 556' ' ' LYS . 11.4 mptt -86.66 76.49 9.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.313 0.578 . . . . 0.0 111.785 -170.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -87.05 67.13 9.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 45.9 m 67.65 -80.65 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.154 -172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 41.9 m 65.33 -67.16 0.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.402 0.681 . . . . 0.0 111.971 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.7 t -115.21 -50.16 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm 65.1 -77.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.529 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 566' ' ' LEU . 6.8 tp -136.53 127.65 27.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.344 -172.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t -79.23 155.95 28.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.448 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.677 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 565' ' ' LYS . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.448 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 29.3 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.677 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.632 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.455 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 591' ' ' VAL . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.427 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.5 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.692 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.692 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . 0.411 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.419 ' HB2' HD23 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.418 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 562' ' ' LEU . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.1 -42.75 86.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -84.73 -36.21 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.172 -177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -113.1 78.04 0.25 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.539 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.675 -1.069 . . . . 0.0 111.141 177.876 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.799 0.333 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -84.25 44.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 112.082 -173.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.63 -26.58 15.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 12.5 p -78.01 153.4 32.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.911 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.56 110.92 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.415 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.96 123.54 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.603 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -92.77 75.35 4.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 0.0 111.248 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.7 m -121.38 121.48 37.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.987 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 24.0 p -68.15 134.41 50.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 51.5 m -70.66 -10.98 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.017 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -119.3 98.05 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.806 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.45 ' HG ' ' HD3' ' A' ' 632' ' ' LYS . 0.3 OUTLIER 63.55 73.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.395 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t -52.29 151.23 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.227 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.585 HD22 HD23 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 2.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.619 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.557 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' HIS . . . . . 0.466 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.557 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' THR . . . . . 0.535 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.466 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 11.3 mm100 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . 0.432 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' GLN . . . . . 0.499 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.685 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' TRP . . . . . 0.41 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.45 ' HD3' ' HG ' ' A' ' 562' ' ' LEU . 24.9 ttpp -65.47 -33.19 75.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.92 -36.75 23.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -128.03 98.37 0.48 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.376 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.865 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.262 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 565' ' ' LYS . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.513 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.51 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 78.4 mm-40 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.437 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.666 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD11 ' A' ' 573' ' ' LEU . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.749 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 3.3 tmmm? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.766 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 563' ' ' SER . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.766 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' SER . . . . . 0.424 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.569 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.441 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.441 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.439 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.473 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.476 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 632' ' ' LYS . 7.7 ttmt . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.872 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.768 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.515 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 611' ' ' MET . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.533 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.492 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.533 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.52 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.405 ' O ' HD21 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.755 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.472 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 4.2 tmmm? . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.442 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.599 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.465 ' HA ' HD22 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 12.8 mm100 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.45 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.49 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.45 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.43 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.694 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD22 ' A' ' 573' ' ' LEU . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.548 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 566' ' ' LEU . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.699 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 53.8 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.699 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.625 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 579' ' ' ASP . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 575' ' ' GLN . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 592' ' ' ALA . 3.4 mm-40 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 590' ' ' GLN . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.453 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.718 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.718 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.413 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.453 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.48 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.42 HD12 HD12 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.576 ' HB2' HD22 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.493 ' HB3' HD12 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.755 ' HB3' HD13 ' A' ' 566' ' ' LEU . 19.0 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.469 ' HG3' HD12 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.576 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 580' ' ' LEU . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 11.1 mm-40 -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.429 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.707 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.517 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.707 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.418 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.429 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.466 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.717 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 580' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.504 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.55 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.404 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.595 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 75.3 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 7.8 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.569 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 11.9 mm100 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.451 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.502 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.414 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.777 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.501 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.433 HD13 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.737 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.441 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' SER . . . . . 0.448 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.55 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.582 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.582 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.55 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.519 ' HB2' HD22 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.513 ' HE2' HD21 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.732 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 53.2 t-80 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.484 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.703 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 580' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.703 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.758 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD22 ' A' ' 573' ' ' LEU . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.758 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.566 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.52 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 611' ' ' MET . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.41 ' HB2' HG23 ' A' ' 604' ' ' THR . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.888 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.888 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.515 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.478 ' OE1' HD12 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.45 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.432 ' CA ' HD21 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.568 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 611' ' ' MET . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.414 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.536 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.536 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.9 mm100 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.414 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.623 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.623 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.453 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.693 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.693 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.683 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 2.2 mp0 -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.476 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.442 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.658 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.442 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 16.8 mm100 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.407 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.701 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.496 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.62 ' CE1' HD13 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 568' ' ' ARG . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.452 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' A' ' 618' ' ' LEU . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 56.4 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 52.9 t-80 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.405 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 615' ' ' GLU . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 580' ' ' LEU . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.743 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.474 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 631' ' ' LEU . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 627' ' ' TYR . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 32.4 t . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.759 HD23 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 563' ' ' SER . 75.5 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.488 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.523 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.523 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 1.7 pp0? -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.409 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.4 mm100 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.415 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.475 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.759 HD22 HD23 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 79.0 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 628' ' ' LEU . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 587' ' ' LEU . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 604' ' ' THR . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.708 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.417 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.708 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.432 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.568 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.51 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 86.9 mm-40 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.739 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.624 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.739 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' GLN . . . . . 0.595 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.595 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.446 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.516 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.616 HD23 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 42.0 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 72.1 mm-40 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.527 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 51.0 mm-40 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.416 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.429 HD21 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.417 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 615' ' ' GLU . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.458 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 612' ' ' ALA . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 3.1 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.511 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.598 ' HG3' HD12 ' A' ' 566' ' ' LEU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 0.1 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.621 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 14.9 mm100 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 580' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.2 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.405 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.443 ' HB2' HD22 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.445 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.445 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 629' ' ' GLU . 10.8 mtmp? . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.694 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 628' ' ' LEU . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.2 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.694 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 611' ' ' MET . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.435 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.7 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.468 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.436 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.443 HD12 HD12 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 623' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.705 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.494 ' HB2' HD22 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.438 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 570' ' ' LEU . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.438 HD13 ' HE1' ' A' ' 627' ' ' TYR . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.253 0.549 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.518 ' HG3' HD12 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 16.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' LEU . . . . . 0.546 ' HB2' HD13 ' A' ' 618' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD21 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' PRO . . . . . 0.578 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' HIS . . . . . 0.481 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.578 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.481 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 70.7 mm-40 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' MET . . . . . 0.421 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' TRP . . . . . 0.453 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.767 0.318 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 61.14 40.47 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.777 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.27 19.65 12.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.696 0.76 . . . . 0.0 108.958 170.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 36.0 p -70.73 165.31 23.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.436 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.23 96.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.421 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -82.34 52.32 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.376 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.589 ' HA ' ' OG ' ' A' ' 560' ' ' SER . 5.0 mpt_? 58.77 41.64 21.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.971 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.2 p -83.73 -48.96 9.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.057 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 11.7 p -129.0 72.44 1.46 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.25 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.589 ' OG ' ' HA ' ' A' ' 557' ' ' ARG . 7.5 p -138.38 -2.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.674 ' HA ' ' HA3' ' A' ' 635' ' ' GLY . 26.3 ttpp -64.51 -39.07 93.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.167 0.508 . . . . 0.0 110.029 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 566' ' ' LEU . 14.3 mt -157.81 155.32 29.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.417 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t -120.38 165.36 15.01 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 169.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 565' ' ' LYS . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.513 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.51 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 78.4 mm-40 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.437 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.666 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD11 ' A' ' 573' ' ' LEU . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.749 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 3.3 tmmm? -59.68 -28.16 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -90.03 -26.77 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.31 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -145.34 88.79 0.16 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.865 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.674 ' HA3' ' HA ' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.255 1.427 0 CA-C-O 118.211 -1.327 . . . . 0.0 111.371 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -93.81 111.75 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.57 120.84 30.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.093 0.473 . . . . 0.0 110.813 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 5.4 p -111.04 138.83 46.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.681 173.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 13.0 t -75.26 -63.84 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.914 -173.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 51.46 61.75 3.06 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 111.055 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 557' ' ' ARG . 27.8 ptt85 -101.21 22.73 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.009 -176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 35.4 m -75.6 69.74 2.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 52.2 m -155.22 135.73 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.882 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 24.1 m -66.6 109.2 2.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 0.0 110.169 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -99.97 -172.61 2.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.149 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -73.78 173.74 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -173.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m -70.64 158.15 36.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.656 176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.766 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 563' ' ' SER . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.766 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' SER . . . . . 0.424 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.569 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.441 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.441 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.439 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.473 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.476 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 632' ' ' LYS . 7.7 ttmt -75.66 -31.25 59.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -75.63 -34.85 60.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.55 87.96 0.12 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.234 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.279 -178.474 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -135.46 103.18 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.712 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -96.8 112.17 24.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.038 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 47.3 p -84.76 135.84 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.083 0.468 . . . . 0.0 110.829 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.9 p -104.65 -43.93 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.401 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 61.94 80.66 0.22 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.03 0.443 . . . . 0.0 111.293 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -81.89 -39.41 23.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 23.2 p -179.84 -48.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.787 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 146.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.046 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 58.1 m -151.37 87.18 1.37 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.463 ' HG3' ' OXT' ' A' ' 635' ' ' GLY . 9.7 tttp -54.57 -53.86 49.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.118 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 562' ' ' LEU . 13.7 mt -128.84 117.3 20.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.344 175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.872 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m -71.76 152.48 42.7 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.222 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.768 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.515 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 611' ' ' MET . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.533 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.492 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.533 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.52 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.405 ' O ' HD21 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.755 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.472 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.43 ' HG3' HD11 ' A' ' 562' ' ' LEU . 4.2 tmmm? -64.89 -26.31 68.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -96.07 -36.88 10.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -124.27 60.58 0.6 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.077 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.463 ' OXT' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 111.466 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.708 0.289 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.76 115.17 27.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.888 0.375 . . . . 0.0 110.684 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -143.63 118.51 9.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 29.6 p -94.77 119.1 32.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.65 89.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.878 0.847 . . . . 0.0 110.839 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.81 -2.64 53.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.121 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -100.22 72.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.114 0.483 . . . . 0.0 110.615 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 65.7 m -82.52 -177.22 6.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.583 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m 60.73 38.58 18.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.41 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.7 m -80.56 116.03 20.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.941 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -100.89 -142.69 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.886 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.2 OUTLIER -75.44 79.72 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.335 0.588 . . . . 0.0 110.795 -175.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t -65.67 165.26 12.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.178 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.442 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.599 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.465 ' HA ' HD22 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 12.8 mm100 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.45 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.49 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.45 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.43 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.694 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD22 ' A' ' 573' ' ' LEU . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.548 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 566' ' ' LEU . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -56.9 -37.19 71.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -79.94 -35.87 37.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.55 120.4 0.96 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.845 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.319 -1.267 . . . . 0.0 111.731 178.886 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.465 0.65 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -105.7 53.82 0.71 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.654 0.74 . . . . 0.0 109.257 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.69 60.01 5.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.452 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 22.2 p -89.15 100.44 13.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.984 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.39 134.67 28.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.779 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -72.78 92.24 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.303 0.573 . . . . 0.0 110.008 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -123.82 23.0 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 44.7 m -81.77 59.42 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.61 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 46.7 m -135.13 84.24 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.408 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.8 p -89.19 139.14 30.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.625 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -155.32 -42.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.131 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.705 ' HG ' ' HB2' ' A' ' 566' ' ' LEU . 7.2 tp -159.07 106.33 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m -65.2 165.61 11.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.761 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.699 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.705 ' HB2' ' HG ' ' A' ' 562' ' ' LEU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 53.8 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.699 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.625 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 579' ' ' ASP . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 575' ' ' GLN . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 592' ' ' ALA . 3.4 mm-40 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 590' ' ' GLN . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.453 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.718 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.718 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.413 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.453 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.48 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.42 HD12 HD12 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.576 ' HB2' HD22 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.493 ' HB3' HD12 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.688 ' HD3' HD22 ' A' ' 562' ' ' LEU . 24.6 ttpp -58.36 -35.86 72.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -75.86 -36.75 59.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.024 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.27 99.1 0.18 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.957 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.11 -1.383 . . . . 0.0 111.2 176.239 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.77 68.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.97 120.78 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 40.8 p -109.87 160.01 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.78 131.36 73.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.09 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -86.41 110.28 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.243 0.544 . . . . 0.0 110.538 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -147.9 -28.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.454 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.7 t -75.46 -19.42 59.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 18.0 m -68.7 -58.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.021 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 12.4 t -139.36 119.99 14.15 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 632' ' ' LYS . 14.8 ptpt -101.7 -39.64 7.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 561' ' ' LYS . 9.9 mt -175.05 163.52 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.326 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.755 ' HB3' HD13 ' A' ' 566' ' ' LEU . 19.0 t -93.22 151.65 19.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.469 ' HG3' HD12 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.576 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 580' ' ' LEU . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 11.1 mm-40 -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.429 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.707 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.517 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.707 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.418 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.429 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.466 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.717 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 580' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.504 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.55 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.404 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 561' ' ' LYS . 29.4 ttpt -62.99 -29.74 71.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.75 -27.52 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.92 81.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.76 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.735 -1.036 . . . . 0.0 111.738 177.349 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -162.56 -49.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.674 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.68 115.37 22.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.075 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 8.2 p -73.24 173.69 9.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.598 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.01 -69.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.789 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? 44.17 63.04 1.76 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.73 0.776 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -112.27 107.24 16.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.942 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 9.0 t 72.44 151.77 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.942 0.776 . . . . 0.0 111.67 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 14.8 m -83.69 128.02 34.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.323 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 16.0 m -87.6 -91.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.472 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 45.5 mmtm -147.35 120.0 8.58 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 632' ' ' LYS . 4.4 mt 59.49 -163.99 0.22 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.715 0.769 . . . . 0.0 111.515 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t -115.17 157.87 23.04 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 170.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.595 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 75.3 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 7.8 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.569 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 11.9 mm100 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.451 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.502 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.414 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.777 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.501 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.433 HD13 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.472 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 9.5 ttmt -59.81 -22.1 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -65.74 -34.53 78.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.589 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.96 58.75 0.33 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.861 0 CA-C-O 118.552 -1.138 . . . . 0.0 112.0 -175.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.482 0.182 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 60.87 -90.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.271 0.629 . . . . 0.0 112.018 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.57 96.57 10.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 76.3 p 59.73 131.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.72 1.208 . . . . 0.0 113.216 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 14.6 p -102.57 -13.33 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.934 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.62 -83.64 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.308 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 56.78 79.13 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.368 0.417 . . . . 0.0 110.709 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.0 t 63.95 78.14 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.18 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 40.7 m -142.87 2.51 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.3 p -139.82 76.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -99.57 -59.85 1.64 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.427 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -159.65 85.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 566' ' ' LEU . 8.0 t -72.05 163.34 28.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.206 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.737 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.441 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' SER . . . . . 0.448 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.55 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.582 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.582 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.55 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.519 ' HB2' HD22 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -61.35 -30.62 70.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -88.06 -35.8 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.694 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.35 109.07 0.44 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.748 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.808 0 CA-C-O 118.873 -0.96 . . . . 0.0 111.699 -178.712 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.77 -169.04 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.778 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -154.36 -66.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.41 0.624 . . . . 0.0 109.846 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.566 HG23 ' H ' ' A' ' 555' ' ' VAL . 1.3 t -123.71 -59.95 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.71 173.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 554' ' ' THR . 45.7 t -126.02 -55.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 174.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 21.9 tptm 64.46 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.645 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -77.72 73.26 4.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.621 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 33.2 t -73.3 121.96 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.569 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m -88.86 67.69 8.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.0 t 59.95 75.63 0.4 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.762 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -70.04 121.21 17.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.511 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.88 95.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.109 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.459 ' H ' HD13 ' A' ' 566' ' ' LEU . 8.3 t -74.65 161.13 29.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.293 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.513 ' HE2' HD21 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.732 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 53.2 t-80 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.484 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.703 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 580' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.703 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.758 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD22 ' A' ' 573' ' ' LEU . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.758 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? -67.22 -31.01 71.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -105.77 -37.02 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -108.46 57.7 0.42 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.012 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.376 -1.236 . . . . 0.0 110.797 171.128 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.139 0.495 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -165.87 -52.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.68 59.63 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.416 0.627 . . . . 0.0 110.223 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 555' ' ' VAL . 37.2 m -128.84 140.09 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.764 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 554' ' ' THR . 65.8 t 68.06 104.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.503 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.98 94.13 5.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.247 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -73.0 75.02 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.151 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 31.7 t -90.77 122.62 33.67 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.453 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 28.8 t -135.73 126.63 27.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.115 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.7 m -95.35 30.94 2.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.04 -100.43 0.07 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.259 -171.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 2.5 mp -152.18 178.56 9.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 174.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.566 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m -59.45 143.5 49.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 168.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.52 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 611' ' ' MET . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.41 ' HB2' HG23 ' A' ' 604' ' ' THR . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.888 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.888 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.515 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.478 ' OE1' HD12 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.45 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.432 ' CA ' HD21 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.55 -33.5 66.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.36 -24.0 63.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -140.77 58.41 0.58 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.508 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.425 -1.208 . . . . 0.0 111.818 175.034 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 555' ' ' VAL . 21.0 pttp . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.495 0.188 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.91 136.92 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 72.87 -59.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.942 0.776 . . . . 0.0 109.979 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 24.6 p -117.13 124.58 49.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.017 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 551' ' ' LYS . 35.3 m -89.7 148.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.685 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -91.53 70.27 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.895 0.855 . . . . 0.0 109.145 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -136.78 56.38 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.438 -1.255 . . . . 0.0 108.848 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -66.96 120.39 13.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.39 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 31.2 t -110.21 150.58 28.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.41 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.4 p -70.87 105.13 3.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.85 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt 73.66 155.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.982 0.802 . . . . 0.0 110.349 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -67.31 155.17 39.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.685 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t -83.14 173.42 11.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.858 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.568 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 611' ' ' MET . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.414 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.536 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.536 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.9 mm100 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.414 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.623 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.623 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 562' ' ' LEU . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? -76.77 -40.6 47.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.08 -34.97 22.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.43 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -144.22 65.98 0.45 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.537 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.929 177.542 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.374 0.131 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 66.5 105.45 0.04 OUTLIER 'General case' 0 C--O 1.232 0.14 0 O-C-N 123.822 0.702 . . . . 0.0 111.005 -174.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.4 60.44 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.138 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.41 HG23 HG13 ' A' ' 555' ' ' VAL . 3.4 t -93.28 -45.73 7.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.051 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 554' ' ' THR . 29.4 m -102.32 149.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 0.0 110.453 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -122.3 -16.89 7.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.989 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 54.28 29.36 10.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.691 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.0 t -96.05 63.33 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.206 0.527 . . . . 0.0 110.214 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 23.2 t -89.76 -5.13 57.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.4 t -102.8 116.23 32.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -87.14 67.39 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 110.379 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER -143.18 77.49 1.57 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.922 177.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t -64.18 159.81 19.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.152 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.453 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.693 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.693 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.683 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 2.2 mp0 -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.476 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.442 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.658 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.442 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 16.8 mm100 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.407 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.701 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.496 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.62 ' CE1' HD13 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -56.49 -36.65 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -95.65 -35.47 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.093 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.62 115.04 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.063 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.464 -1.187 . . . . 0.0 111.583 -178.521 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.361 0.124 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.0 -71.38 0.19 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.574 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.43 -62.31 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 0.0 110.223 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 16.0 p -95.22 129.52 42.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.33 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 9.0 p -82.17 137.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -74.42 77.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.317 0.579 . . . . 0.0 111.183 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -136.35 177.42 7.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 42.5 m 57.77 66.27 1.16 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.269 0.556 . . . . 0.0 110.574 -176.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 20.6 m -73.34 -4.22 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.892 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.7 m -81.73 54.01 2.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.691 0.757 . . . . 0.0 109.854 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.499 ' HE3' ' O ' ' A' ' 631' ' ' LEU . 22.5 tptm -122.02 114.02 20.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.314 -173.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER 55.6 77.25 0.23 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.804 0.69 . . . . 0.0 109.976 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t -63.12 161.04 14.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.416 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 568' ' ' ARG . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.452 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' A' ' 618' ' ' LEU . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 56.4 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 52.9 t-80 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.405 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 615' ' ' GLU . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 580' ' ' LEU . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.743 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.474 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 631' ' ' LEU . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.499 ' O ' ' HE3' ' A' ' 561' ' ' LYS . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt -63.78 -46.18 86.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -74.84 -35.62 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.434 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.22 106.84 0.35 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.091 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.378 -179.53 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 69.63 109.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.034 0.834 . . . . 0.0 109.291 -170.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.57 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.644 0.735 . . . . 0.0 109.498 -167.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 11.2 p -74.99 155.07 37.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.363 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.55 101.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.758 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -73.17 -31.1 64.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.021 0.438 . . . . 0.0 110.208 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 63.11 28.92 16.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.984 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.941 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' SER . . . . . 0.4 ' C ' ' HG ' ' A' ' 560' ' ' SER . 47.4 m -117.86 27.75 8.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.4 ' HG ' ' C ' ' A' ' 559' ' ' SER . 60.8 p 53.51 -83.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 O-C-N 124.1 0.875 . . . . 0.0 110.871 -170.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 73.34 -68.09 0.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.408 0.683 . . . . 0.0 111.906 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 6.5 tp -155.86 130.38 8.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.087 0.47 . . . . 0.0 110.396 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.585 ' H ' HD13 ' A' ' 566' ' ' LEU . 32.4 t -98.39 164.6 12.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.295 176.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.759 HD23 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 563' ' ' SER . 75.5 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.488 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.523 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.523 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 1.7 pp0? -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.409 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.4 mm100 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.415 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.475 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.759 HD22 HD23 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.24 -47.03 87.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -82.35 -35.81 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.526 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -116.73 57.78 0.5 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.457 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.982 176.548 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.363 0.125 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 70.57 164.63 0.27 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.036 0.835 . . . . 0.0 112.729 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -166.27 123.83 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.86 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 13.1 p -68.59 130.31 42.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.141 0.496 . . . . 0.0 111.181 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.5 133.57 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.934 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -112.93 106.88 15.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.984 0.421 . . . . 0.0 110.123 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.86 79.63 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.4 m -98.16 16.46 21.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 15.5 t -157.58 112.44 2.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.9 t -155.03 63.86 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.753 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 46.7 mmtm 68.79 -76.64 0.06 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.495 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.505 ' CD1' ' HG3' ' A' ' 632' ' ' LYS . 11.9 mt -137.56 173.64 11.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t -82.64 149.82 27.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 79.0 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 628' ' ' LEU . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 587' ' ' LEU . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 604' ' ' THR . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.708 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.417 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.708 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.432 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.568 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.51 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 86.9 mm-40 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.753 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 24.0 ttmt -62.23 -39.75 93.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -85.67 -32.6 21.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.836 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -138.59 105.18 0.47 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.917 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.553 -1.137 . . . . 0.0 111.911 -179.083 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 57.8 mttp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.828 0.347 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.92 60.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.017 0.436 . . . . 0.0 109.939 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 56.74 -88.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.827 -1.078 . . . . 0.0 112.292 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 81.0 m -161.82 -27.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.475 0.655 . . . . 0.0 109.957 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.492 HG12 ' HB2' ' A' ' 557' ' ' ARG . 3.5 t -88.19 131.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.929 -175.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -94.56 54.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.492 ' HB2' HG12 ' A' ' 555' ' ' VAL . 21.1 tpt180 -119.7 131.39 55.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -171.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 58.6 p -109.42 -22.89 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.288 0.566 . . . . 0.0 109.671 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 m -88.29 34.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.009 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.0 m -66.2 -61.26 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 109.416 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -128.94 131.1 47.49 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.5 OUTLIER -49.79 117.74 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.216 1.008 . . . . 0.0 113.349 -166.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t -64.65 171.64 3.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.64 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.739 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 562' ' ' LEU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.624 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.739 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' GLN . . . . . 0.595 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.595 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.446 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.516 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 562' ' ' LEU . 31.4 ttmt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -78.67 -35.55 45.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.841 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.72 115.57 0.67 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 119.071 -0.85 . . . . 0.0 111.812 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.976 0.417 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -146.35 71.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.56 110.16 12.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.409 -172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 3.7 m -141.16 18.24 2.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.795 0.807 . . . . 0.0 109.375 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.658 HG22 ' HG2' ' A' ' 557' ' ' ARG . 3.1 p -136.57 -44.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.544 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt 61.29 -91.67 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.05 0.54 . . . . 0.0 111.789 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.658 ' HG2' HG22 ' A' ' 555' ' ' VAL . 25.9 mmt180 55.44 -156.61 0.25 Allowed 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.735 0.647 . . . . 0.0 110.349 -177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -99.58 -31.79 11.42 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 166.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 48.7 m 57.24 -93.7 0.04 OUTLIER 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.423 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.3 t -160.98 112.71 1.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 561' ' ' LYS . 32.5 ttpt -106.88 -53.67 2.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.455 0.645 . . . . 0.0 109.57 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.7 OUTLIER -125.76 89.44 3.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t -62.53 155.15 26.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.497 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.616 HD23 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 42.0 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 72.1 mm-40 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.527 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 51.0 mm-40 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.416 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.429 HD21 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.417 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 615' ' ' GLU . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.458 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 612' ' ' ALA . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 3.1 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.511 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.66 -29.94 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -91.04 -36.54 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.776 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -142.12 103.22 0.32 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.342 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.83 -0.983 . . . . 0.0 111.682 179.867 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.755 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.43 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.269 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.92 -67.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 555' ' ' VAL . 50.6 m 63.75 100.11 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.694 0.621 . . . . 0.0 110.855 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 554' ' ' THR . 2.3 m 63.36 135.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.3 1.44 . . . . 0.0 112.385 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -84.39 55.64 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.801 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 68.84 -70.77 0.13 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.963 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.7 m -156.02 110.67 2.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.366 . . . . 0.0 110.305 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 37.7 t -92.47 126.45 37.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.404 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.8 t -70.05 -14.84 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.925 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.903 ' HG3' ' HA3' ' A' ' 635' ' ' GLY . 35.2 ttpt 70.7 -67.52 0.24 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.337 177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.557 HD12 ' HG2' ' A' ' 567' ' ' GLN . 0.7 OUTLIER -116.18 101.94 9.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t -70.13 145.97 51.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.598 ' HG3' HD12 ' A' ' 566' ' ' LEU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.557 ' HG2' HD12 ' A' ' 562' ' ' LEU . 0.1 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.621 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 14.9 mm100 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 580' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.2 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.405 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.443 ' HB2' HD22 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.445 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.445 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 629' ' ' GLU . 10.8 mtmp? -67.55 -23.0 65.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -90.73 -35.68 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.71 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -133.86 80.64 0.32 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.231 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.903 ' HA3' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.759 -1.023 . . . . 0.0 112.152 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.565 0.221 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.1 28.6 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.237 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.2 68.82 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.142 0.496 . . . . 0.0 110.267 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.705 HG23 HG23 ' A' ' 555' ' ' VAL . 7.7 t -83.23 -35.97 24.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.705 HG23 HG23 ' A' ' 554' ' ' THR . 41.8 t -105.33 126.18 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 556' ' ' LYS . 11.4 mptt -86.66 76.49 9.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.313 0.578 . . . . 0.0 111.785 -170.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -87.05 67.13 9.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 45.9 m 67.65 -80.65 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.154 -172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 41.9 m 65.33 -67.16 0.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.402 0.681 . . . . 0.0 111.971 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.7 t -115.21 -50.16 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm 65.1 -77.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.529 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.553 HD12 HD23 ' A' ' 631' ' ' LEU . 6.8 tp -136.53 127.65 27.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.344 -172.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t -79.23 155.95 28.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.694 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 628' ' ' LEU . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.2 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.694 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 611' ' ' MET . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.435 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.7 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.468 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.436 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.443 HD12 HD12 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.705 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.494 ' HB2' HD22 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.438 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 570' ' ' LEU . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 562' ' ' LEU . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.1 -42.75 86.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -84.73 -36.21 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.172 -177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -113.1 78.04 0.25 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.539 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.675 -1.069 . . . . 0.0 111.141 177.876 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.799 0.333 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -84.25 44.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 112.082 -173.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.63 -26.58 15.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 12.5 p -78.01 153.4 32.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.911 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.56 110.92 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.415 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.96 123.54 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.603 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 557' ' ' ARG . 14.5 mmm180 -92.77 75.35 4.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 0.0 111.248 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.7 m -121.38 121.48 37.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.987 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 24.0 p -68.15 134.41 50.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 51.5 m -70.66 -10.98 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.017 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -119.3 98.05 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.806 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER 63.55 73.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.395 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t -52.29 151.23 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.227 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.518 ' HG3' HD12 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 16.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.546 ' HB2' HD13 ' A' ' 618' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD21 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.578 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' HIS . . . . . 0.481 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.578 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.481 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 70.7 mm-40 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.421 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' TRP . . . . . 0.453 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HD3' ' HG ' ' A' ' 562' ' ' LEU . 24.9 ttpp -65.47 -33.19 75.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.92 -36.75 23.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -128.03 98.37 0.48 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.376 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.865 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.262 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 565' ' ' LYS . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.513 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.51 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 13.3 mm100 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.437 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.666 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD11 ' A' ' 573' ' ' LEU . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.749 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.3 tmmm? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 119.559 -0.257 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.766 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 563' ' ' SER . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.766 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.405 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . 0.424 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.569 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.441 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.441 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.439 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.473 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.476 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 632' ' ' LYS . 7.7 ttmt . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.872 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.768 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.515 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 611' ' ' MET . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.533 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.492 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.533 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 23.7 mm-40 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.466 HD12 HE21 ' A' ' 605' ' ' GLN . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.52 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.405 ' O ' HD21 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.755 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.472 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 4.2 tmmm? . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.442 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.599 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.465 ' HA ' HD22 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 588' ' ' GLN . 5.2 mm100 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 26.9 mm-40 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.45 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.49 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.45 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.43 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.694 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD22 ' A' ' 573' ' ' LEU . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.548 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 566' ' ' LEU . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.699 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 15.6 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.699 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.625 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 579' ' ' ASP . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 575' ' ' GLN . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 592' ' ' ALA . 3.4 mm100 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 590' ' ' GLN . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.453 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.718 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.718 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.413 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.453 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.48 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.42 HD12 HD12 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.576 ' HB2' HD22 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.493 ' HB3' HD12 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.755 ' HB3' HD13 ' A' ' 566' ' ' LEU . 19.0 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.469 ' HG3' HD12 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.576 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 580' ' ' LEU . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 588' ' ' GLN . 3.8 mm100 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.901 ' HA ' HE21 ' A' ' 590' ' ' GLN . 0.0 OUTLIER -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.429 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.707 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.517 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.707 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.418 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.429 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.466 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.717 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.81 ' HA ' HE21 ' A' ' 620' ' ' GLN . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 580' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.81 HE21 ' HA ' ' A' ' 617' ' ' GLU . 28.6 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.504 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.55 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.404 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.595 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 25.1 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 3.2 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.569 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 25.6 mm-40 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.451 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.502 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.414 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.777 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.501 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.433 HD13 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.737 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 577' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.441 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . 0.448 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.55 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.582 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.582 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.55 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.519 ' HB2' HD22 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.513 ' HE2' HD21 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.732 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 72.3 t60 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.484 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.703 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 580' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.703 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.758 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD22 ' A' ' 573' ' ' LEU . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.758 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.566 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.765 ' HA ' HE21 ' A' ' 572' ' ' GLN . 0.0 OUTLIER -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.52 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 611' ' ' MET . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.41 ' HB2' HG23 ' A' ' 604' ' ' THR . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.888 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.888 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.515 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.478 ' OE1' HD12 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.45 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.432 ' CA ' HD21 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.236 0.392 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.568 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 611' ' ' MET . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.414 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.536 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.536 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 25.0 mm-40 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.414 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.455 HD12 HE21 ' A' ' 605' ' ' GLN . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.623 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.623 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.453 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.693 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.693 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.683 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 0.0 OUTLIER -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.476 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.442 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.658 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.442 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 28.7 mm-40 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.407 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.701 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.496 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.62 ' CE1' HD13 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 565' ' ' LYS . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 568' ' ' ARG . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.452 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' A' ' 618' ' ' LEU . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 588' ' ' GLN . 0.0 OUTLIER -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 49.1 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 605' ' ' GLN . 83.4 t60 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.641 ' HG2' ' CD2' ' A' ' 601' ' ' HIS . 0.4 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.412 ' N ' HE21 ' A' ' 605' ' ' GLN . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.405 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 615' ' ' GLU . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 580' ' ' LEU . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.743 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.474 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 631' ' ' LEU . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 627' ' ' TYR . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 32.4 t . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.759 HD23 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 563' ' ' SER . 23.3 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.488 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.523 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.523 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.537 HE21 HD12 ' A' ' 608' ' ' LEU . 23.0 mm-40 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.415 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.537 HD12 HE21 ' A' ' 605' ' ' GLN . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.475 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.759 HD22 HD23 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 27.8 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 628' ' ' LEU . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 587' ' ' LEU . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 604' ' ' THR . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.708 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.417 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.708 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.432 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.568 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.51 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 15.6 mm100 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.739 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.624 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.739 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . 0.595 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.595 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.429 ' NE2' HD12 ' A' ' 608' ' ' LEU . 19.5 mm-40 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 605' ' ' GLN . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.446 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.516 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.616 HD23 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 41.1 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 588' ' ' GLN . 4.5 mm100 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 13.2 mm100 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.527 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.4 mm100 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.416 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.429 HD21 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.417 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 615' ' ' GLU . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.458 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 612' ' ' ALA . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.661 ' HA ' HE21 ' A' ' 620' ' ' GLN . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.661 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.8 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.511 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.598 ' HG3' HD12 ' A' ' 566' ' ' LEU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 0.2 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.621 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 33.6 mm-40 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.853 ' HA ' HE21 ' A' ' 620' ' ' GLN . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 580' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.853 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.1 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.405 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.443 ' HB2' HD22 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.445 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.445 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 629' ' ' GLU . 10.8 mtmp? . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.694 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 628' ' ' LEU . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 29.3 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.694 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 611' ' ' MET . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.435 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.7 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.468 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.436 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.443 HD12 HD12 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.705 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.494 ' HB2' HD22 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.438 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 570' ' ' LEU . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.438 HD13 ' HE1' ' A' ' 627' ' ' TYR . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.253 0.549 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.518 ' HG3' HD12 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 2.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' LEU . . . . . 0.546 ' HB2' HD13 ' A' ' 618' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 588' ' ' GLN . 3.8 mm100 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD21 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' PRO . . . . . 0.578 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' HIS . . . . . 0.481 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.578 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.481 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 11.3 mm100 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' MET . . . . . 0.421 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' TRP . . . . . 0.453 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.767 0.318 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 61.14 40.47 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.777 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.27 19.65 12.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.696 0.76 . . . . 0.0 108.958 170.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 36.0 p -70.73 165.31 23.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.506 -1.224 . . . . 0.0 112.436 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.23 96.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.421 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -82.34 52.32 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.376 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.589 ' HA ' ' OG ' ' A' ' 560' ' ' SER . 5.0 mpt_? 58.77 41.64 21.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.971 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.2 p -83.73 -48.96 9.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.057 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 11.7 p -129.0 72.44 1.46 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.25 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.589 ' OG ' ' HA ' ' A' ' 557' ' ' ARG . 7.5 p -138.38 -2.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.149 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.674 ' HA ' ' HA3' ' A' ' 635' ' ' GLY . 26.3 ttpp -64.51 -39.07 93.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.167 0.508 . . . . 0.0 110.029 -176.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 566' ' ' LEU . 14.3 mt -157.81 155.32 29.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.417 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 38.3 t -120.38 165.36 15.01 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 169.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 83.1 t80 -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.365 0.53 . . . . 0.0 110.659 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.461 ' HG3' HD12 ' A' ' 566' ' ' LEU . 16.5 ptmt -61.4 -26.77 68.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.401 177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 565' ' ' LYS . 9.8 mp -86.55 -29.26 22.8 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.474 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 40.7 mt-30 -55.72 -53.06 61.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 109.818 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.17 -20.74 55.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.519 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 4.4 tp10 -67.21 -52.46 40.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 570' ' ' LEU . 2.1 tt -72.72 -27.77 62.25 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.543 -174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -83.29 -20.27 34.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -99.4 -28.06 13.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 4.7 tp -56.87 -44.8 99.92 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 114.617 -1.174 . . . . 0.0 113.588 -175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 51.4 Cg_exo -53.58 -45.21 42.68 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.863 1.709 . . . . 0.0 112.461 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -60.43 -38.06 82.89 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.344 0.593 . . . . 0.0 110.017 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 17.5 tp -69.27 -37.35 77.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.228 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.72 -56.09 26.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 120.635 0.255 . . . . 0.0 110.756 176.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -65.01 -26.51 68.31 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.233 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.79 -56.72 18.32 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.212 0.529 . . . . 0.0 109.726 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.2 mt -69.09 -30.94 69.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.352 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.19 -49.64 54.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 0.0 109.821 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.1 -29.65 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.01 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 66.4 tttm -67.11 -50.81 60.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.649 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.09 -47.66 84.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.498 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -53.0 -45.81 68.05 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.999 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.3 66.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.897 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 591' ' ' VAL . 40.9 mt -88.23 -38.79 14.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -65.23 -25.37 67.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.218 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 7.8 t -81.51 -23.24 37.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 mm100 -72.57 -50.62 24.22 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 587' ' ' LEU . 31.1 t -69.53 -16.38 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 113.891 -1.504 . . . . 0.0 110.985 -177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.84 87.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.69 139.47 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.842 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.3 -19.99 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.066 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 6.7 m -73.45 -13.63 61.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.478 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.513 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.8 t80 -63.25 -51.31 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.321 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -74.57 8.71 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.155 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.7 m -88.66 -9.14 53.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.48 153.4 65.2 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.197 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.05 148.19 24.57 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.028 2.485 . . . . 0.0 112.243 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.51 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 33.6 t60 -51.74 -34.07 37.57 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.252 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.26 -23.18 59.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 45.7 mm-40 -83.84 -47.24 11.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.742 0.782 . . . . 0.0 109.32 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 44.0 p -70.99 -48.88 50.75 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.723 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 13.3 mm100 -63.36 -28.15 69.8 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.684 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 7.2 tmtm? -57.74 -51.63 68.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 172.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 50.9 t -71.03 -43.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.061 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.77 -49.0 79.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.955 0.407 . . . . 0.0 111.074 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.97 93.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.648 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.15 -34.35 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.521 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.437 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.1 ttp -63.64 -52.03 62.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.629 176.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.76 -29.71 70.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.069 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.08 -34.44 71.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.894 0.378 . . . . 0.0 110.533 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.95 67.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.495 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 10.8 pt-20 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.785 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 80.2 mm-40 -63.18 -45.19 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.706 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.03 -43.61 95.21 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -57.54 -58.18 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.687 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.666 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 7.8 mt-10 -65.86 -39.91 91.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.223 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.55 -40.93 96.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.706 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD11 ' A' ' 573' ' ' LEU . . . -69.53 -30.6 68.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.42 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.62 68.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.293 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.1 pt-20 -73.11 -24.91 60.69 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.749 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.4 tpt180 -62.48 -44.46 96.34 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 167.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -62.08 -50.19 72.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.114 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.641 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -48.63 80.92 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 171.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 54.1 mt -64.32 -39.44 93.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.27 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.57 -49.9 75.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.44 99.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.05 -45.93 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.286 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.3 tmmm? -59.68 -28.16 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.995 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -90.03 -26.77 20.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.31 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -145.34 88.79 0.16 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.865 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.674 ' HA3' ' HA ' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.255 1.427 0 CA-C-O 118.211 -1.327 . . . . 0.0 111.371 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -93.81 111.75 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -88.57 120.84 30.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.093 0.473 . . . . 0.0 110.813 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 5.4 p -111.04 138.83 46.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.681 173.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 13.0 t -75.26 -63.84 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.914 -173.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 51.46 61.75 3.06 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 111.055 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 557' ' ' ARG . 27.8 ptt85 -101.21 22.73 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.009 -176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 35.4 m -75.6 69.74 2.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 52.2 m -155.22 135.73 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.882 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 24.1 m -66.6 109.2 2.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.022 0.439 . . . . 0.0 110.169 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -99.97 -172.61 2.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.149 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -73.78 173.74 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -173.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 50.2 m -70.64 158.15 36.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.656 176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -59.75 -39.19 83.97 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.266 0.485 . . . . 0.0 111.425 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.766 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 12.4 ptmm? -57.61 -28.14 63.38 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 18.8 mt -89.86 -30.33 17.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.043 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 563' ' ' SER . 41.0 mt-30 -54.5 -52.91 60.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.018 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.13 -21.48 39.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.247 0.546 . . . . 0.0 110.155 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.766 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 30.7 tt0 -67.79 -50.01 59.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.025 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 570' ' ' LEU . 4.7 tt -63.61 -24.86 67.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.34 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -85.54 -16.59 38.94 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -25.29 12.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.439 0.638 . . . . 0.0 111.042 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -52.89 -44.79 97.28 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.855 -178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 32.7 Cg_exo -60.84 -34.29 91.58 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.857 1.705 . . . . 0.0 111.976 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -66.76 -37.61 84.95 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.63 0.728 . . . . 0.0 109.079 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 29.5 tp -69.7 -35.71 75.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -60.57 -52.34 65.56 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 121.351 -0.14 . . . . 0.0 111.261 175.26 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.69 -24.51 66.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.149 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.73 -57.98 8.29 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 55.0 mt -66.26 -33.37 75.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.204 -176.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 6.8 tp10 -62.26 -55.54 27.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.694 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.07 -26.18 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.586 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -72.08 -48.19 45.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.901 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.11 -46.44 90.6 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.625 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 8.8 mm-40 -53.53 -44.17 68.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.16 176.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.58 -41.63 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.361 0.601 . . . . 0.0 111.216 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 591' ' ' VAL . 60.4 mt -75.64 -42.31 51.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.405 HE21 ' CA ' ' A' ' 588' ' ' GLN . 0.0 OUTLIER -68.15 -31.44 71.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 3.8 t -78.26 -25.85 46.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.59 -175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.6 pt20 -83.65 -31.77 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.6 t -73.15 -24.33 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.136 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.4 69.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 29.5 t70 -75.42 127.38 32.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.561 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.73 67.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.9 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . 0.424 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 33.1 m -76.07 -9.63 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 58.3 t80 -60.98 -51.3 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -72.72 -0.78 14.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.367 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.5 t -80.6 -15.27 57.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -75.53 155.06 85.67 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.569 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 77.7 Cg_exo -49.94 146.78 15.93 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.607 2.871 . . . . 0.0 112.652 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.441 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 18.4 t60 -49.43 -41.1 38.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.523 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.38 -23.53 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.01 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 5.8 mm100 -84.73 -53.76 5.15 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.869 0.842 . . . . 0.0 109.161 176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 32.8 p -63.65 -50.04 70.87 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.031 -172.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.441 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 84.8 mm-40 -64.16 -30.71 71.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.162 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.75 -41.08 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.348 0.594 . . . . 0.0 109.493 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.439 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 60.9 t -76.11 -48.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.691 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 604' ' ' THR . 96.5 mt -56.75 -44.03 81.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.137 0.494 . . . . 0.0 111.477 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.49 82.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.912 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.09 -31.31 67.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.162 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 57.5 ttp -61.1 -51.79 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.581 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.4 99.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.74 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.074 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.95 -52.7 15.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.49 -39.72 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.658 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.2 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.35 -39.2 85.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.416 HD12 HD12 ' A' ' 577' ' ' LEU . 47.0 tp -54.83 -52.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.615 0.245 . . . . 0.0 110.978 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 9.6 pt-20 -71.11 -39.77 71.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.581 -177.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -66.75 -37.36 84.47 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.72 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.028 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.473 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -63.04 -46.51 87.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.268 174.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 13.5 mm-40 -59.09 -42.36 90.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.348 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 8.0 tpp180 -58.87 -48.51 81.13 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.602 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.476 ' HB2' HD22 ' A' ' 573' ' ' LEU . 55.1 t90 -58.5 -52.73 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.711 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.87 -34.21 77.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.729 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -62.03 -44.06 97.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.02 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 90.3 mt -67.0 -42.7 84.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -57.6 -48.01 80.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.453 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.43 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.888 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.14 -32.06 73.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 632' ' ' LYS . 7.7 ttmt -75.66 -31.25 59.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.469 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -75.63 -34.85 60.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.55 87.96 0.12 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.234 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.279 -178.474 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -135.46 103.18 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.712 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -96.8 112.17 24.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.038 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 47.3 p -84.76 135.84 33.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.083 0.468 . . . . 0.0 110.829 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.9 p -104.65 -43.93 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.401 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 61.94 80.66 0.22 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.03 0.443 . . . . 0.0 111.293 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -81.89 -39.41 23.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 23.2 p -179.84 -48.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.787 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 146.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.046 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 58.1 m -151.37 87.18 1.37 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.463 ' HG3' ' OXT' ' A' ' 635' ' ' GLY . 9.7 tttp -54.57 -53.86 49.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.118 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 562' ' ' LEU . 13.7 mt -128.84 117.3 20.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.262 0.553 . . . . 0.0 111.344 175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.872 ' HB2' HD13 ' A' ' 566' ' ' LEU . 70.3 m -71.76 152.48 42.7 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.222 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -61.64 -34.41 75.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.105 0.866 . . . . 0.0 111.388 -172.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 0.0 OUTLIER -53.23 -32.65 49.33 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 121.233 0.539 . . . . 0.0 109.684 177.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' ' 563' ' ' SER . 5.5 mp -86.72 -34.39 19.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.53 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 77.6 mt-30 -58.07 -49.55 76.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.835 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -20.68 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.109 0.481 . . . . 0.0 110.258 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.768 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.8 tp10 -64.49 -51.83 60.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.288 0.566 . . . . 0.0 109.884 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -18.09 64.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.857 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 46.9 mt-10 -72.01 -47.96 48.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.703 0.287 . . . . 0.0 111.557 177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -89.92 -31.99 17.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.132 0.491 . . . . 0.0 111.782 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.8 -50.14 79.46 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.776 -170.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.0 Cg_exo -55.84 -43.34 58.17 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.821 1.681 . . . . 0.0 112.755 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.9 -25.66 63.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.134 0.492 . . . . 0.0 110.466 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 33.4 tp -76.78 -34.65 57.99 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.824 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.67 -54.76 43.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.794 0.33 . . . . 0.0 110.689 174.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.42 -22.98 66.83 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.506 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.83 -57.92 6.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.515 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.3 mt -67.25 -33.83 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.375 -175.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.72 -53.32 56.13 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.524 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.73 -48.1 67.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.44 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.46 -46.92 88.04 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.909 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.58 -42.77 71.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 611' ' ' MET . 47.1 mt -66.36 -44.51 82.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.79 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -65.32 -24.02 67.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 586' ' ' ALA . 0.6 OUTLIER -84.27 -28.89 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.04 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -81.64 -24.42 36.36 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 587' ' ' LEU . 71.3 t -80.77 -21.51 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.933 173.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.54 -24.82 66.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.121 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.53 116.81 11.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.667 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.66 66.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.604 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 18.5 m -79.69 -8.5 59.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.3 t80 -59.15 -51.27 70.72 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 176.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -68.19 -6.94 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.675 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 -10.93 59.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -80.81 153.98 73.01 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.29 148.73 18.21 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.57 2.846 . . . . 0.0 112.521 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.533 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 31.1 t60 -51.0 -34.16 27.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.352 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -69.32 -28.17 66.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.485 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.492 ' O ' ' HB3' ' A' ' 606' ' ' LYS . 5.5 mm-40 -85.75 -45.35 11.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.539 0.685 . . . . 0.0 109.814 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.4 p -73.32 -42.9 61.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.157 -172.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.533 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 23.7 mm-40 -62.59 -33.61 75.32 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.599 0.238 . . . . 0.0 110.763 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 4.2 tmtm? -53.77 -45.6 70.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.065 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.4 t -80.2 -46.18 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.466 HD12 HE21 ' A' ' 605' ' ' GLN . 96.1 mt -61.73 -38.17 86.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.726 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.87 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.41 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.45 -35.85 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.172 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.52 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.8 ttp -58.77 -54.5 46.34 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 175.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.99 79.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.42 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.8 pt-20 -64.92 -43.81 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.703 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 612' ' ' ALA . 15.2 mm100 -61.78 -43.12 99.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.625 0.25 . . . . 0.0 110.592 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.56 -43.53 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.15 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.5 tp -57.88 -48.11 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.651 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 5.1 mt-10 -69.35 -45.84 68.44 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.214 -174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 4.4 pt20 -65.16 -33.71 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.398 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.405 ' O ' HD21 ' A' ' 573' ' ' LEU . . . -69.52 -39.95 77.22 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.898 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -51.75 67.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.32 -44.88 72.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.622 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.755 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.6 tpt180 -55.72 -50.05 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.294 174.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.472 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.0 t90 -58.53 -51.58 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.973 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.95 -32.68 74.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.5 -39.83 88.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.188 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.6 mt -65.44 -46.79 78.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -62.63 -42.51 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.71 -50.0 72.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.276 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.17 -36.69 80.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.291 0.567 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.43 ' HG3' HD11 ' A' ' 562' ' ' LEU . 4.2 tmmm? -64.89 -26.31 68.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.009 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.07 -36.88 10.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -124.27 60.58 0.6 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.077 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.463 ' OXT' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 111.466 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.708 0.289 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.76 115.17 27.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.888 0.375 . . . . 0.0 110.684 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -143.63 118.51 9.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 29.6 p -94.77 119.1 32.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.65 89.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.878 0.847 . . . . 0.0 110.839 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -93.81 -2.64 53.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.121 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -100.22 72.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.114 0.483 . . . . 0.0 110.615 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 65.7 m -82.52 -177.22 6.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.583 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m 60.73 38.58 18.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.41 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.7 m -80.56 116.03 20.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.941 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -100.89 -142.69 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.886 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.2 OUTLIER -75.44 79.72 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.335 0.588 . . . . 0.0 110.795 -175.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 9.2 t -65.67 165.26 12.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.178 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.442 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 36.1 t80 -58.47 -33.6 69.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.712 -176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 21.3 mtpp -48.66 -43.72 36.97 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.458 0.647 . . . . 0.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 628' ' ' LEU . 3.6 mp -86.51 -28.52 23.35 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.753 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 80.7 mt-30 -59.64 -48.68 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.895 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -83.48 -20.77 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.575 179.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.599 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.7 tp10 -72.45 -54.41 9.38 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 109.81 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.0 OUTLIER -65.54 -16.61 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.565 -177.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.08 -28.37 48.73 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 9.7 pt20 -111.21 -29.86 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.073 0.463 . . . . 0.0 111.785 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -51.32 -48.11 86.75 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.459 -174.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.6 Cg_exo -54.38 -44.05 53.04 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.083 1.855 . . . . 0.0 112.476 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -63.83 -36.52 84.17 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.463 0.649 . . . . 0.0 110.012 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.6 tp -67.91 -34.96 77.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.085 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -60.93 -53.85 52.22 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.553 0.216 . . . . 0.0 110.755 174.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.01 -20.45 65.88 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.56 -60.01 3.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 36.6 mt -68.17 -28.36 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.202 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.465 ' HA ' HD22 ' A' ' 618' ' ' LEU . 35.3 tt0 -68.9 -52.7 26.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.902 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.311 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -69.67 -55.1 10.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.652 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.94 -46.02 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.663 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.47 -45.31 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.924 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.33 -40.2 93.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.773 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 591' ' ' VAL . 61.6 mt -73.08 -41.83 63.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.788 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 588' ' ' GLN . 5.2 mm100 -64.31 -29.46 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.427 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.7 t -78.5 -24.06 46.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.923 0.392 . . . . 0.0 110.388 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 26.9 mm-40 -70.28 -49.38 50.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 172.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 587' ' ' LEU . 23.6 t -71.63 -13.91 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 113.872 -1.513 . . . . 0.0 110.846 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.601 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.62 134.82 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.441 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.25 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.814 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 13.6 m -68.55 -14.78 63.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.45 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 40.7 t80 -62.62 -49.52 74.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.98 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -73.64 -1.53 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.112 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -85.63 -3.49 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 109.376 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.33 165.66 37.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.583 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.49 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 27.6 Cg_exo -65.25 153.23 79.24 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.05 2.5 . . . . 0.0 112.532 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 14.5 t60 -49.97 -41.11 45.98 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.893 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.2 -30.48 69.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.417 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.49 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 63.0 mm-40 -85.07 -54.63 4.51 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 121.652 0.739 . . . . 0.0 110.209 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 37.6 p -64.1 -48.19 77.12 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.143 -169.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 13.1 mm100 -65.39 -33.72 76.62 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.496 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.32 -47.84 80.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.45 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 68.0 t -71.25 -48.35 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.208 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.43 HD12 ' OE1' ' A' ' 605' ' ' GLN . 94.9 mt -60.39 -42.86 96.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.35 73.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.26 -37.03 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.06 -45.23 93.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.071 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.58 -34.09 77.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.987 0.423 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.35 64.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.822 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.65 16.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.5 pt-20 -60.03 -45.09 93.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.671 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.5 pt20 -67.37 -36.15 80.79 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.709 0.29 . . . . 0.0 110.716 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.62 -47.31 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.085 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 581' ' ' GLU . 57.5 tp -55.42 -48.77 73.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.581 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 6.5 pt-20 -73.0 -40.21 65.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 11.2 pt20 -67.75 -32.18 72.6 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.434 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.93 64.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.735 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -51.91 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.2 pt-20 -64.96 -32.32 73.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.88 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.694 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 5.8 tpp180 -64.23 -45.3 88.81 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 171.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.438 ' HB2' HD22 ' A' ' 573' ' ' LEU . 68.1 t90 -59.47 -48.17 82.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.168 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.4 -36.62 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.59 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.548 ' HD2' ' HD3' ' A' ' 624' ' ' ARG . 1.8 t80 -61.19 -42.28 98.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.658 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 566' ' ' LEU . 29.4 mt -62.46 -46.75 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.95 -44.16 94.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.284 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.97 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.86 -35.97 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.447 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -56.9 -37.19 71.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.286 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -79.94 -35.87 37.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.55 120.4 0.96 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.845 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.319 -1.267 . . . . 0.0 111.731 178.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.465 0.65 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -105.7 53.82 0.71 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.654 0.74 . . . . 0.0 109.257 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.69 60.01 5.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.452 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 22.2 p -89.15 100.44 13.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.984 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 3.9 p -64.39 134.67 28.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.779 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -72.78 92.24 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.303 0.573 . . . . 0.0 110.008 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -123.82 23.0 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 44.7 m -81.77 59.42 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.61 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 46.7 m -135.13 84.24 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.408 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.8 p -89.19 139.14 30.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.625 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -155.32 -42.85 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.131 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.705 ' HG ' ' HB2' ' A' ' 566' ' ' LEU . 7.2 tp -159.07 106.33 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 32.5 m -65.2 165.61 11.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.761 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.699 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 75.2 t80 -58.44 -38.67 77.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.953 0.406 . . . . 0.0 110.569 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.5 ptpt -59.04 -32.37 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.216 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.705 ' HB2' ' HG ' ' A' ' 562' ' ' LEU . 14.5 mt -84.62 -25.27 28.69 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.773 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.586 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 15.6 mt-30 -53.1 -54.47 35.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 170.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.699 ' HD3' ' CZ ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -80.39 -23.55 40.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.373 -175.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 13.9 tp10 -67.14 -43.49 82.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.81 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.625 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 4.2 tt -78.8 -48.72 14.26 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.035 -175.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.2 -27.21 44.38 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -89.92 -24.12 21.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.838 0.828 . . . . 0.0 111.221 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -68.88 -42.54 24.06 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.927 -165.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 36.8 Cg_exo -59.52 -39.8 72.14 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.696 1.597 . . . . 0.0 111.674 176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 579' ' ' ASP . 36.9 mm-40 -65.63 -25.79 67.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.39 0.614 . . . . 0.0 110.399 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.71 -34.57 30.52 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.806 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.29 -55.09 35.74 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.537 176.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.04 -25.81 68.55 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.156 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 575' ' ' GLN . 2.8 t70 -62.92 -57.95 9.03 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.146 0.498 . . . . 0.0 109.79 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.65 -31.58 69.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.243 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.92 -52.43 36.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.944 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.63 -28.35 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.779 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 87.2 tttt -67.76 -47.4 69.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.457 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 615' ' ' GLU . 2.9 tm? -61.78 -45.0 95.77 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.743 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -49.38 -58.29 5.37 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.294 0.371 . . . . 0.0 110.869 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -53.26 -51.85 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.29 0.636 . . . . 0.0 111.524 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 583' ' ' LYS . 74.8 mt -64.57 -51.64 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 592' ' ' ALA . 3.4 mm100 -60.79 -20.28 61.17 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 111.323 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 2.8 m -85.87 -40.51 15.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.738 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 590' ' ' GLN . 2.0 pt20 -80.27 -21.36 42.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.227 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.86 -22.42 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.784 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 588' ' ' GLN . . . -66.07 -27.04 67.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.272 0.558 . . . . 0.0 110.488 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.9 126.26 28.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.087 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.73 -22.33 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.024 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.6 t -86.7 -8.11 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 110.768 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.453 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 50.5 t80 -58.12 -52.1 66.97 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 121.041 0.448 . . . . 0.0 111.151 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.3 -12.62 60.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.745 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.1 m -76.84 -6.42 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.245 0.545 . . . . 0.0 110.568 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 29.4 mm-40 -87.75 171.63 9.3 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.302 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.718 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 32.6 Cg_exo -62.75 147.26 94.93 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.974 2.45 . . . . 0.0 112.816 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.9 t60 -52.86 -37.29 60.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.802 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.14 -31.53 70.26 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.075 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.718 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.86 -41.93 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 22.7 p -67.55 -47.77 68.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.41 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.413 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 73.7 mm-40 -63.72 -26.92 68.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.558 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -59.63 -56.05 26.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.453 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 43.3 t -65.7 -43.55 93.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.645 -177.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.19 -46.11 90.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.818 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.31 -36.85 85.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.256 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.9 ttp -61.85 -52.96 62.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.192 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -75.65 -21.88 57.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.03 -54.93 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.541 0.21 . . . . 0.0 110.686 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.48 ' HB3' ' HG ' ' A' ' 584' ' ' LEU . 8.1 pt-20 -65.19 -34.41 78.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.441 177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 43.6 tp60 -60.55 -56.4 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.982 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 42.1 tp10 -63.3 -34.46 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.003 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.42 HD12 HD12 ' A' ' 577' ' ' LEU . 65.8 tp -57.1 -54.23 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.528 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.4 pt-20 -73.52 -36.82 65.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -175.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 16.2 pt20 -65.62 -35.66 81.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.301 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -73.11 -37.57 66.65 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -57.74 -46.85 83.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.051 177.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 47.9 mt-10 -62.26 -41.24 98.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 14.8 tpp180 -60.22 -43.22 96.2 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.045 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.576 ' HB2' HD22 ' A' ' 573' ' ' LEU . 45.5 t90 -60.98 -49.37 77.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.534 -177.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -69.2 -29.37 67.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 631' ' ' LEU . 8.1 t80 -63.76 -40.41 96.63 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 171.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.493 ' HB3' HD12 ' A' ' 570' ' ' LEU . 55.9 mt -70.8 -45.12 65.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.476 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.38 -45.64 90.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.627 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.69 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 627' ' ' TYR . 12.8 tp -63.02 -48.49 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.688 ' HD3' HD22 ' A' ' 562' ' ' LEU . 24.6 ttpp -58.36 -35.86 72.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.964 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -75.86 -36.75 59.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.024 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.27 99.1 0.18 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.957 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.11 -1.383 . . . . 0.0 111.2 176.239 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.77 68.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.97 120.78 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 40.8 p -109.87 160.01 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.78 131.36 73.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.09 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -86.41 110.28 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.243 0.544 . . . . 0.0 110.538 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -147.9 -28.68 0.33 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.454 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.7 t -75.46 -19.42 59.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 18.0 m -68.7 -58.66 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.021 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 12.4 t -139.36 119.99 14.15 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 632' ' ' LYS . 14.8 ptpt -101.7 -39.64 7.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 561' ' ' LYS . 9.9 mt -175.05 163.52 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.326 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.755 ' HB3' HD13 ' A' ' 566' ' ' LEU . 19.0 t -93.22 151.65 19.69 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 68.5 t80 -60.94 -37.91 83.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.507 0.594 . . . . 0.0 110.946 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.469 ' HG3' HD12 ' A' ' 566' ' ' LEU . 14.8 ptpt -60.16 -29.52 68.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.282 176.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 563' ' ' SER . 9.5 mp -84.51 -27.92 27.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.519 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 39.5 mt-30 -54.16 -58.78 6.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.777 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -73.86 -20.72 60.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.725 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 7.9 tp10 -72.23 -51.77 19.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.021 0.438 . . . . 0.0 109.899 175.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.576 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 3.5 tt -67.55 -46.53 72.48 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.602 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -54.04 -39.74 66.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -94.87 -7.1 41.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.961 0.41 . . . . 0.0 111.565 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.4 tt -70.26 -44.95 20.48 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.28 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 37.8 Cg_exo -62.02 -37.89 61.36 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.453 1.436 . . . . 0.0 111.4 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -63.69 -34.3 77.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.823 175.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 24.2 tp -76.13 -34.74 59.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.914 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.62 -52.51 64.07 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 174.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.31 -27.02 68.31 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.858 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.59 -57.73 9.2 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.854 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 52.4 mt -70.73 -26.78 63.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.088 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.68 -56.01 14.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.13 68.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.826 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 580' ' ' LEU . 87.6 tttt -73.67 -45.55 51.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.468 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.41 -46.18 89.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -52.02 -45.88 64.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.506 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -68.01 -42.07 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 591' ' ' VAL . 57.2 mt -74.7 -44.18 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.143 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 588' ' ' GLN . 3.8 mm100 -63.39 -30.6 71.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.511 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.0 t -77.17 -20.59 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.901 ' HA ' HE21 ' A' ' 590' ' ' GLN . 0.0 OUTLIER -76.95 -48.33 18.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.3 t -69.75 -17.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.909 -1.496 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.78 -33.23 75.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.809 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -74.91 129.47 37.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.744 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.41 -18.49 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.5 t -84.9 -6.66 59.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.374 . . . . 0.0 110.078 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.429 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.9 t80 -59.99 -47.86 84.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -74.78 8.08 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.684 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -90.75 -9.13 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.427 0.632 . . . . 0.0 109.727 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.707 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 19.3 mm-40 -87.3 168.28 18.16 Favored Pre-proline 0 N--CA 1.442 -0.858 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.472 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.517 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 53.7 Cg_exo -54.57 143.21 69.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.175 2.583 . . . . 0.0 113.178 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 24.7 t60 -49.51 -39.46 34.24 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.579 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.35 -29.93 67.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.35 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.707 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -86.06 -42.31 14.05 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 16.8 p -67.2 -50.13 62.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.418 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 79.6 mm-40 -63.16 -28.42 70.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.3 tmtp? -57.95 -53.49 57.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 172.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.429 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 54.0 t -68.24 -46.06 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.13 -43.51 95.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.646 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.98 70.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.26 -31.87 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.462 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.466 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.8 ttp -61.88 -51.48 68.02 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.633 174.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.95 82.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.383 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.62 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.964 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.56 71.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.465 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.717 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.2 pt-20 -67.52 -44.77 77.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.699 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -56.49 -45.08 81.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.676 0.275 . . . . 0.0 110.824 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.81 ' HA ' HE21 ' A' ' 620' ' ' GLN . 7.0 tp10 -66.2 -44.01 85.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.214 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 580' ' ' LEU . 47.2 tp -57.37 -53.8 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.768 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.0 mt-10 -70.06 -40.89 74.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.81 HE21 ' HA ' ' A' ' 617' ' ' GLU . 28.6 pt20 -67.75 -34.28 76.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.372 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -69.05 -37.56 78.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.733 177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.504 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -58.99 -46.55 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.637 175.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 619' ' ' GLU . 49.4 mt-10 -58.35 -42.28 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.38 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 10.9 tpp180 -62.6 -45.12 94.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.356 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.55 ' HB2' HD22 ' A' ' 573' ' ' LEU . 56.0 t90 -58.13 -52.01 67.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.232 -174.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.404 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 7.7 mt-10 -63.76 -31.37 72.52 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.088 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.173 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.64 -48.06 70.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.208 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -61.16 -39.86 91.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.81 89.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.09 -40.27 94.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.246 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 561' ' ' LYS . 29.4 ttpt -62.99 -29.74 71.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.023 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.75 -27.52 28.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.3 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.92 81.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.76 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.735 -1.036 . . . . 0.0 111.738 177.349 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -162.56 -49.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.674 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.68 115.37 22.61 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.075 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 8.2 p -73.24 173.69 9.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.598 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.01 -69.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.789 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? 44.17 63.04 1.76 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.73 0.776 . . . . 0.0 111.227 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -112.27 107.24 16.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.942 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 9.0 t 72.44 151.77 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.942 0.776 . . . . 0.0 111.67 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 14.8 m -83.69 128.02 34.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.323 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 16.0 m -87.6 -91.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.472 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 45.5 mmtm -147.35 120.0 8.58 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' ' 632' ' ' LYS . 4.4 mt 59.49 -163.99 0.22 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.715 0.769 . . . . 0.0 111.515 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.8 t -115.17 157.87 23.04 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 170.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.66 -38.59 69.79 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.912 0.778 . . . . 0.0 111.42 -176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.595 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 19.3 ptpt -51.88 -35.74 46.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.719 0.295 . . . . 0.0 110.791 176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 628' ' ' LEU . 10.4 mt -87.98 -30.82 19.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.917 177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 571' ' ' GLU . 25.1 mt-30 -52.12 -62.01 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.466 0.479 . . . . 0.0 110.528 177.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 0.0 OUTLIER -72.72 -21.33 61.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.042 0.449 . . . . 0.0 110.469 -177.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 3.7 tp10 -63.7 -53.63 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.607 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.2 tt -72.51 -18.36 61.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.739 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 567' ' ' GLN . 44.4 mt-10 -73.84 -20.6 60.39 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.994 -0.441 . . . . 0.0 112.059 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 3.2 pt20 -113.18 -32.6 6.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.049 0.452 . . . . 0.0 111.813 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.3 tt -52.43 -50.96 77.04 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.082 -170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 48.9 Cg_exo -57.34 -39.63 88.17 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.93 1.754 . . . . 0.0 112.519 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -63.83 -36.28 83.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.376 0.607 . . . . 0.0 109.671 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.6 tp -69.82 -36.53 75.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.998 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.481 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -58.43 -53.47 57.93 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.178 175.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.9 -23.1 65.07 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.528 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.59 -51.61 64.56 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.219 0.533 . . . . 0.0 109.579 173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 37.0 mt -73.22 -32.85 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.215 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.45 -50.26 68.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.671 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.66 70.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.669 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.26 -46.92 69.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.443 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.2 tm? -63.81 -47.06 82.33 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.517 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.569 ' O ' ' HB ' ' A' ' 589' ' ' THR . 12.4 tp10 -50.2 -43.36 52.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.679 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' A' ' 590' ' ' GLN . . . -65.57 -55.62 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.772 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 591' ' ' VAL . 55.7 mt -62.94 -46.32 88.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 0.6 OUTLIER -60.44 -32.67 71.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 585' ' ' GLU . 0.4 OUTLIER -76.31 -30.19 57.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.766 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 25.6 mm-40 -65.35 -46.68 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 587' ' ' LEU . 48.8 t -75.17 -15.78 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.999 -177.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.44 70.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.666 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.36 125.37 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.429 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.77 -21.03 66.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 23.1 t -84.85 -7.08 59.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.451 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 27.9 t80 -59.08 -48.38 81.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.661 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -65.26 -14.67 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.128 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.6 m -78.68 -6.95 57.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.163 0.506 . . . . 0.0 110.862 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.502 ' HB3' ' HD2' ' A' ' 600' ' ' PRO . 54.5 mt-30 -79.89 164.2 54.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 603' ' ' GLN . 6.2 Cg_endo -49.28 137.26 30.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.767 2.311 . . . . 0.0 112.488 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -50.16 -36.52 30.58 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.9 -33.33 73.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.512 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.54 -41.54 15.21 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 17.7 p -68.16 -47.79 67.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.2 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.08 -28.46 69.8 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.5 tmtp? -60.47 -51.31 70.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.451 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.6 t -68.23 -44.13 84.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.942 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.86 -45.01 96.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.382 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.32 76.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.34 -37.79 83.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.883 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.414 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.8 ttp -55.48 -53.68 53.34 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.565 174.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.73 71.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.003 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -77.74 -24.51 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.103 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.76 -51.98 49.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 8.6 pt-20 -66.32 -36.65 83.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.486 176.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.1 tp-100 -55.58 -53.78 52.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.643 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.489 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 19.6 tt0 -68.19 -35.1 77.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.8 tp -59.37 -54.39 47.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 11.3 pt-20 -66.03 -37.56 86.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.396 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -43.47 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.49 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.771 176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.585 175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -53.99 -49.87 67.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.206 0.527 . . . . 0.0 110.31 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.777 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 26.2 tpt180 -54.05 -50.5 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.216 176.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.501 ' HB2' HD22 ' A' ' 573' ' ' LEU . 61.6 t90 -60.13 -49.03 79.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.155 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.35 -37.29 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.2 t80 -60.43 -41.84 94.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.692 0.282 . . . . 0.0 110.279 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 66.4 mt -67.8 -48.96 64.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.115 -177.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.09 -35.64 75.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.136 0.493 . . . . 0.0 110.869 176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -73.38 -41.68 63.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.354 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.433 HD13 ' HE1' ' A' ' 627' ' ' TYR . 11.4 tp -64.33 -41.9 96.55 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.472 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 9.5 ttmt -59.81 -22.1 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.147 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -65.74 -34.53 78.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.589 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.96 58.75 0.33 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.861 0 CA-C-O 118.552 -1.138 . . . . 0.0 112.0 -175.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.482 0.182 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 60.87 -90.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.271 0.629 . . . . 0.0 112.018 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.57 96.57 10.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 76.3 p 59.73 131.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.72 1.208 . . . . 0.0 113.216 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 14.6 p -102.57 -13.33 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.934 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.62 -83.64 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.308 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 56.78 79.13 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.368 0.417 . . . . 0.0 110.709 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.0 t 63.95 78.14 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.18 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 40.7 m -142.87 2.51 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.3 p -139.82 76.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -99.57 -59.85 1.64 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.427 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -159.65 85.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 566' ' ' LEU . 8.0 t -72.05 163.34 28.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.206 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 72.4 t80 -54.05 -38.87 65.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 566' ' ' LEU . 9.6 ptpt -58.4 -30.42 66.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.6 mp -84.3 -29.96 25.96 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 72.1 mt-30 -52.99 -54.66 31.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.984 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -78.95 -19.96 50.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.713 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.0 -45.95 63.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.737 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -73.64 -51.12 17.84 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.966 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.81 -15.87 63.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.43 -23.97 16.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.808 0.813 . . . . 0.0 111.023 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.6 tt -61.77 -42.42 82.94 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 114.252 -1.34 . . . . 0.0 113.649 -170.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 34.3 Cg_exo -61.26 -39.83 54.66 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.584 1.522 . . . . 0.0 111.95 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -61.03 -32.27 71.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.438 0.637 . . . . 0.0 110.036 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 26.9 tp -78.04 -35.22 49.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 577' ' ' LEU . 0.0 OUTLIER -58.67 -51.79 68.42 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.538 0.208 . . . . 0.0 110.906 174.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.69 -25.03 65.48 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.346 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.54 -56.45 13.96 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.298 0.57 . . . . 0.0 109.56 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.441 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -69.7 -31.33 69.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.132 -176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.51 -50.74 64.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.15 0.5 . . . . 0.0 109.95 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.92 67.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.628 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.88 -49.41 58.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.93 -44.06 94.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.037 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -50.92 -45.64 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.192 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 589' ' ' THR . . . -71.74 -37.62 70.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.35 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 75.0 mt -78.46 -38.84 40.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.327 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.86 -25.45 66.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 586' ' ' ALA . 5.0 t -80.34 -22.71 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.673 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -72.82 -40.83 65.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.918 0.866 . . . . 0.0 108.919 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 24.0 t -81.23 -16.44 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.241 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.98 62.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.559 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 4.3 t70 -81.28 131.01 35.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.494 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.41 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . 0.448 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 13.5 m -82.71 -10.28 58.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.55 ' HE2' HD21 ' A' ' 608' ' ' LEU . 65.4 t80 -59.77 -54.31 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.471 -178.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -74.33 9.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.666 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 18.8 m -105.27 -1.17 25.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -89.5 161.81 38.45 Favored Pre-proline 0 N--CA 1.431 -1.383 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.784 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.582 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 23.8 Cg_exo -65.21 152.22 82.9 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.499 2.133 . . . . 0.0 112.996 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 605' ' ' GLN . 19.5 t60 -40.62 -47.37 2.73 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.592 0.757 . . . . 0.0 111.879 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -59.2 -27.01 65.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.461 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.582 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.3 mm100 -84.41 -52.74 5.95 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.033 0.92 . . . . 0.0 109.452 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.508 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 38.9 p -65.74 -46.3 79.41 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.759 -172.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 601' ' ' HIS . 82.1 mm-40 -69.85 -28.53 65.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 1.0 OUTLIER -57.73 -46.68 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.9 t -77.6 -52.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.522 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.55 HD21 ' HE2' ' A' ' 596' ' ' PHE . 95.5 mt -55.75 -47.18 77.41 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.594 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.79 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -77.32 -33.64 55.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 56.9 ttp -61.42 -50.54 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.545 175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.904 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.22 82.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.374 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.36 69.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.494 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.72 -40.3 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.509 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.71 -30.16 66.64 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.365 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.2 -48.68 61.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 580' ' ' LEU . 57.8 tp -54.32 -49.47 69.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.31 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.99 -39.88 83.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -73.44 -35.33 65.76 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.43 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.09 -37.96 81.81 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.722 173.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.37 -44.7 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.035 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.707 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.2 mmt180 -54.84 -54.69 39.09 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 172.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.519 ' HB2' HD22 ' A' ' 573' ' ' LEU . 47.2 t90 -54.8 -54.22 45.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.046 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.27 -32.56 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.79 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.12 -45.0 86.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.163 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 81.7 mt -67.22 -38.99 86.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.52 -45.95 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.557 0.217 . . . . 0.0 111.084 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.653 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.14 -38.1 87.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.473 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -61.35 -30.62 70.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.548 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -88.06 -35.8 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.694 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.35 109.07 0.44 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.115 -0.564 . . . . 0.0 111.748 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.808 0 CA-C-O 118.873 -0.96 . . . . 0.0 111.699 -178.712 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.817 0.341 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.77 -169.04 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.778 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -154.36 -66.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.41 0.624 . . . . 0.0 109.846 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.566 HG23 ' H ' ' A' ' 555' ' ' VAL . 1.3 t -123.71 -59.95 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.71 173.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 554' ' ' THR . 45.7 t -126.02 -55.85 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 174.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 21.9 tptm 64.46 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.645 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -77.72 73.26 4.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.621 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 33.2 t -73.3 121.96 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.569 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 49.5 m -88.86 67.69 8.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.0 t 59.95 75.63 0.4 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.762 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -70.04 121.21 17.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.511 -177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.88 95.32 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.109 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.459 ' H ' HD13 ' A' ' 566' ' ' LEU . 8.3 t -74.65 161.13 29.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.293 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -58.54 -31.17 67.71 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.447 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 15.0 mttm -52.87 -38.88 62.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.336 0.589 . . . . 0.0 109.84 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -86.15 -29.32 23.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.1 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.43 -55.75 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.854 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -79.03 -20.61 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.39 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.3 tp10 -67.37 -48.95 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 570' ' ' LEU . 2.2 tt -66.57 -18.38 65.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.697 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.68 -35.08 34.21 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -93.98 -34.92 12.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 0.0 111.209 -177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -50.09 -48.98 77.97 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-N 114.444 -1.253 . . . . 0.0 113.148 -172.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.8 Cg_exo -53.43 -40.81 77.14 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.272 1.982 . . . . 0.0 113.021 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.43 -27.8 63.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.281 0.562 . . . . 0.0 110.221 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 29.9 tp -74.45 -33.23 62.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.477 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.01 -56.47 21.8 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.863 174.159 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.57 -19.85 66.09 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.69 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.6 11.0 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.5 mt -68.38 -29.16 67.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.736 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.59 -56.26 17.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.751 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.4 73.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.67 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 55.3 tttp -64.79 -48.25 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.765 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.79 -48.21 82.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.796 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -53.35 -47.83 69.04 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.891 0.377 . . . . 0.0 111.298 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.5 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.096 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 591' ' ' VAL . 71.6 mt -79.82 -41.45 26.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.03 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.373 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 9.9 t -81.13 -28.22 35.2 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 11.7 pt20 -80.1 -28.73 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.6 t -76.15 -22.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.77 172.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.9 61.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.835 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.62 136.48 41.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.52 -20.48 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.715 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 74.4 m -84.49 -6.71 59.4 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.726 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.513 ' HE2' HD21 ' A' ' 608' ' ' LEU . 77.1 t80 -62.43 -56.86 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 174.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -75.26 0.03 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 111.265 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 21.1 t -81.85 -12.54 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -80.8 155.18 73.31 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.866 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.52 149.68 30.07 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.18 2.587 . . . . 0.0 112.309 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.732 ' O ' ' HG3' ' A' ' 605' ' ' GLN . 72.3 t60 -48.84 -50.47 34.45 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.204 0.315 . . . . 0.0 111.192 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.14 -20.96 29.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.391 0.432 . . . . 0.0 112.149 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -84.06 -54.52 4.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.758 0.79 . . . . 0.0 109.314 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 54.5 p -65.28 -51.33 61.43 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.339 -1.3 . . . . 0.0 112.38 -171.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 601' ' ' HIS . 0.0 OUTLIER -61.72 -27.7 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.428 0.156 . . . . 0.0 110.949 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -67.31 -39.46 85.91 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.51 0.672 . . . . 0.0 109.402 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 48.8 t -78.53 -41.86 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.496 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 604' ' ' THR . 65.7 mt -58.15 -39.43 78.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.193 0.521 . . . . 0.0 110.326 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.46 83.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.878 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.36 -35.21 75.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.484 ' HA ' HD13 ' A' ' 587' ' ' LEU . 56.4 ttp -60.09 -52.5 65.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.041 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.08 -33.65 76.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -66.3 -30.52 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -69.84 -53.58 17.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.703 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 9.0 pt-20 -60.99 -47.55 85.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.923 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 8.1 pt20 -59.87 -38.46 82.24 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.644 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' GLN . 10.3 tp10 -66.99 -42.64 84.69 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 580' ' ' LEU . 58.5 tp -58.16 -47.89 81.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.001 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.703 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 9.7 mt-10 -65.35 -48.16 73.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -176.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 17.4 pt20 -66.84 -34.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.105 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.62 79.49 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -53.31 55.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.529 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.26 -21.76 62.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.836 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.758 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 20.9 tpp180 -65.04 -49.84 68.57 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.432 ' HB2' HD22 ' A' ' 573' ' ' LEU . 69.8 t90 -58.08 -49.55 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.096 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -61.92 -37.65 85.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.58 -41.7 97.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.758 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 50.8 mt -66.41 -44.34 83.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 110.177 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.82 -43.46 98.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.27 61.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.473 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.33 -34.71 74.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 110.458 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 632' ' ' LYS . 3.6 tmmm? -67.22 -31.01 71.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.255 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -105.77 -37.02 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -108.46 57.7 0.42 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.012 -173.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.376 -1.236 . . . . 0.0 110.797 171.128 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.139 0.495 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -165.87 -52.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -89.68 59.63 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.416 0.627 . . . . 0.0 110.223 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 555' ' ' VAL . 37.2 m -128.84 140.09 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.764 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 554' ' ' THR . 65.8 t 68.06 104.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.503 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.98 94.13 5.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.247 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -73.0 75.02 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.151 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 31.7 t -90.77 122.62 33.67 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.453 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 28.8 t -135.73 126.63 27.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.115 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.7 m -95.35 30.94 2.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.04 -100.43 0.07 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.259 -171.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 2.5 mp -152.18 178.56 9.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 174.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.566 ' HB2' ' HG ' ' A' ' 566' ' ' LEU . 29.2 m -59.45 143.5 49.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 168.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 47.9 t80 -52.22 -38.44 58.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.814 0.734 . . . . 0.0 111.839 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -49.15 -47.01 46.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 109.958 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.566 ' HG ' ' HB2' ' A' ' 563' ' ' SER . 1.8 mt -80.73 -21.78 40.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.841 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.3 mt-30 -60.84 -43.59 98.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.779 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 568' ' ' ARG . 1.8 mpt_? -84.91 -30.93 23.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.563 ' CB ' ' HA ' ' A' ' 566' ' ' LEU . 3.8 tp10 -55.77 -57.12 13.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.865 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -16.64 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.986 -174.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.9 mm-40 -75.84 -46.33 30.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.982 0.42 . . . . 0.0 111.422 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.765 ' HA ' HE21 ' A' ' 572' ' ' GLN . 0.0 OUTLIER -92.52 -16.91 25.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.663 -174.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.52 ' HB3' ' HD3' ' A' ' 574' ' ' PRO . 15.5 tp -67.79 -52.86 23.56 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 71.3 Cg_exo -52.2 -41.66 64.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.905 1.736 . . . . 0.0 112.304 175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -63.14 -42.45 99.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.749 0.785 . . . . 0.0 109.422 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 11.3 tp -63.95 -34.62 78.39 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.54 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -64.39 -54.85 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.577 0.227 . . . . 0.0 110.893 177.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.53 -20.98 66.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.984 0.421 . . . . 0.0 109.995 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.84 -59.31 3.17 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.777 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 51.4 mt -65.88 -35.18 79.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.615 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.31 -49.82 68.03 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.124 0.488 . . . . 0.0 109.865 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.65 -24.84 65.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.336 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.88 -44.96 68.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.516 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -62.65 -49.26 75.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.642 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.14 -38.98 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.97 -40.9 71.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.459 . . . . 0.0 111.295 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 611' ' ' MET . 73.6 mt -73.88 -41.02 62.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -67.14 -24.64 65.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.54 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 586' ' ' ALA . 6.1 t -85.78 -25.43 26.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.433 -177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.83 -29.27 25.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 74.1 t -75.24 -18.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.608 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -69.51 -30.12 67.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.616 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.25 129.61 41.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.552 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.3 -23.69 65.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 51.0 m -86.35 -7.56 58.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.411 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 44.3 t80 -56.76 -54.42 46.48 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -65.67 -5.13 7.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.137 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 44.0 t -87.38 -5.34 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 110.107 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.41 ' HB2' HG23 ' A' ' 604' ' ' THR . 88.7 mt-30 -82.53 164.36 47.71 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.273 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.888 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 38.1 Cg_exo -59.73 144.43 99.44 Favored 'Trans proline' 0 C--N 1.34 0.09 0 C-N-CA 122.438 2.092 . . . . 0.0 112.15 -174.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -50.38 -38.22 41.52 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.618 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.59 -33.68 74.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.228 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.888 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -86.26 -41.69 14.39 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.109 -179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.515 ' N ' ' HG3' ' A' ' 603' ' ' GLN . 5.6 p -68.59 -48.36 64.36 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.478 ' OE1' HD12 ' A' ' 608' ' ' LEU . 8.2 mm100 -61.96 -30.7 71.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.631 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -58.73 -52.45 65.63 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.3 t -65.69 -44.45 93.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.225 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 605' ' ' GLN . 81.7 mt -62.23 -45.78 91.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.63 91.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 2.2 t70 -62.3 -44.2 97.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.404 ' HA ' HD13 ' A' ' 587' ' ' LEU . 53.6 ttp -56.73 -49.6 74.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.37 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.29 83.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.35 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.057 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -70.98 -50.37 35.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.49 -40.21 85.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.357 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.9 -35.99 82.94 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.426 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.48 -45.08 80.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 577' ' ' LEU . 62.2 tp -53.59 -53.63 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.686 -177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.07 -40.24 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.838 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.71 -38.15 83.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.37 -34.02 70.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.328 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.45 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -64.25 -49.1 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 176.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -56.3 -40.78 74.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.515 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.706 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 9.8 tpp180 -60.61 -45.38 94.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.155 174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.432 ' CA ' HD21 ' A' ' 573' ' ' LEU . 81.5 t90 -59.9 -52.27 66.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.103 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.72 -37.97 86.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 0.0 110.417 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.15 -41.85 89.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.681 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.8 mt -69.87 -44.13 70.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.912 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.41 -45.2 84.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.7 92.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.887 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.07 -40.12 94.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.273 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -56.55 -33.5 66.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.207 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.36 -24.0 63.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -140.77 58.41 0.58 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.508 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.425 -1.208 . . . . 0.0 111.818 175.034 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 555' ' ' VAL . 21.0 pttp . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.495 0.188 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -97.91 136.92 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 72.87 -59.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.942 0.776 . . . . 0.0 109.979 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 24.6 p -117.13 124.58 49.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.017 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 551' ' ' LYS . 35.3 m -89.7 148.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.685 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -91.53 70.27 5.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.895 0.855 . . . . 0.0 109.145 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -136.78 56.38 1.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.438 -1.255 . . . . 0.0 108.848 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -66.96 120.39 13.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.39 -173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 31.2 t -110.21 150.58 28.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.41 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 6.4 p -70.87 105.13 3.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.85 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt 73.66 155.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.982 0.802 . . . . 0.0 110.349 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -67.31 155.17 39.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.685 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.2 t -83.14 173.42 11.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.858 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 38.0 t80 -60.5 -37.41 81.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 118.332 0.515 . . . . 0.0 111.912 -172.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.48 -39.23 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.317 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 569' ' ' GLU . 13.4 mt -86.19 -30.2 22.62 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.241 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 70.7 mt-30 -55.22 -50.4 69.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -20.94 32.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.638 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.568 ' HB3' ' HA ' ' A' ' 566' ' ' LEU . 32.4 tt0 -64.83 -47.76 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 109.647 174.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.8 tt -67.37 -23.75 65.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.252 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 25.8 mm-40 -78.22 -21.68 49.63 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.05 -0.406 . . . . 0.0 111.606 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.47 -35.82 8.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.492 0.663 . . . . 0.0 111.115 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -49.93 -48.43 78.24 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.272 -172.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.95 -40.63 60.41 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.918 1.745 . . . . 0.0 112.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -67.81 -27.89 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.503 0.668 . . . . 0.0 109.587 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.1 tp -75.2 -33.42 61.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.963 177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -62.9 -53.64 50.94 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 122.317 -0.24 . . . . 0.0 110.613 177.033 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.21 -21.62 66.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.149 0.499 . . . . 0.0 110.163 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.12 -54.59 12.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.82 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 68.7 mt -69.84 -31.99 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.248 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.11 -53.42 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.203 0.525 . . . . 0.0 109.696 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -68.52 -21.39 64.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.436 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -72.07 -48.47 43.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.42 -48.19 82.6 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.412 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -56.71 -40.73 76.19 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.891 0.377 . . . . 0.0 111.039 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 589' ' ' THR . . . -70.81 -31.64 68.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.037 0.446 . . . . 0.0 111.382 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 611' ' ' MET . 64.9 mt -83.5 -36.21 24.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.03 0.443 . . . . 0.0 110.505 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -67.41 -28.58 68.03 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.146 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 586' ' ' ALA . 7.8 t -74.43 -23.91 59.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 110.94 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -75.88 -45.25 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 50.5 t -73.64 -18.36 17.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.577 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.54 75.69 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.42 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.86 125.29 25.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.958 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.5 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.957 -174.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 598' ' ' SER . 34.8 m -87.93 -6.36 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.414 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.414 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 51.3 t80 -53.77 -51.17 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.901 0.381 . . . . 0.0 110.818 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.05 -0.13 8.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.222 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 595' ' ' SER . 48.3 t -82.3 -13.5 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -75.82 151.9 84.65 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.413 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 71.8 Cg_exo -47.56 144.99 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.351 2.701 . . . . 0.0 112.42 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.536 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 43.6 t60 -52.35 -34.05 45.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.058 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -76.35 -19.93 57.7 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.259 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 58.4 mm-40 -82.66 -48.29 11.08 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.932 0.872 . . . . 0.0 109.141 175.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 43.2 p -72.08 -47.12 53.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.412 -172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.536 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 25.0 mm-40 -58.97 -34.96 72.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.86 176.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 33.3 tttm -54.06 -51.87 62.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 110.587 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.414 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 48.5 t -73.52 -43.59 55.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.059 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.455 HD12 HE21 ' A' ' 605' ' ' GLN . 96.6 mt -61.65 -39.39 91.17 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.97 71.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.47 -35.94 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.961 0.41 . . . . 0.0 109.978 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.406 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.8 ttp -59.69 -51.62 68.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.871 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.66 -31.93 73.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.68 -25.52 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.815 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.41 16.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.66 -43.97 97.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.574 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.88 -38.94 80.01 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.383 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.67 -39.84 94.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 577' ' ' LEU . 53.7 tp -55.54 -53.86 51.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.057 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.25 -36.72 69.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.58 -45.21 95.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.158 0.504 . . . . 0.0 110.276 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 573' ' ' LEU . . . -68.85 -36.91 78.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.253 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -49.87 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.313 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.73 -39.6 93.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.8 tpp180 -58.12 -42.1 85.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.623 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.96 -49.24 73.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.682 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.623 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 2.1 mt-10 -64.73 -34.36 78.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.667 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.02 -43.49 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.925 172.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 45.3 mt -65.19 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.5 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 629' ' ' GLU . 4.2 mm-40 -61.47 -39.64 91.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.07 87.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.377 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 562' ' ' LEU . 9.1 tp -66.79 -31.62 72.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.526 0.679 . . . . 0.0 110.758 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 628' ' ' LEU . 2.6 tmmm? -76.77 -40.6 47.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.08 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -85.08 -34.97 22.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.43 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -144.22 65.98 0.45 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.537 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.929 177.542 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.374 0.131 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 66.5 105.45 0.04 OUTLIER 'General case' 0 C--O 1.232 0.14 0 O-C-N 123.822 0.702 . . . . 0.0 111.005 -174.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.4 60.44 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.242 0.544 . . . . 0.0 110.138 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.41 HG23 HG13 ' A' ' 555' ' ' VAL . 3.4 t -93.28 -45.73 7.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.051 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 554' ' ' THR . 29.4 m -102.32 149.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.051 0.453 . . . . 0.0 110.453 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -122.3 -16.89 7.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.989 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 54.28 29.36 10.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.691 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.0 t -96.05 63.33 2.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.206 0.527 . . . . 0.0 110.214 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 23.2 t -89.76 -5.13 57.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 33.4 t -102.8 116.23 32.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -87.14 67.39 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 110.379 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER -143.18 77.49 1.57 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.922 177.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.3 t -64.18 159.81 19.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.152 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 568' ' ' ARG . 67.0 t80 -53.25 -37.92 62.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.453 ' HG3' HD12 ' A' ' 566' ' ' LEU . 7.2 ptpt -56.5 -35.38 67.96 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.6 mp -81.36 -27.88 34.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 564' ' ' TYR . 78.4 mt-30 -61.08 -39.62 90.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.452 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.693 ' HA ' ' HB3' ' A' ' 571' ' ' GLU . 0.7 OUTLIER -84.92 -28.29 26.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.955 176.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 11.7 tp10 -59.38 -50.34 74.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.4 tt -70.97 -19.06 62.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.9 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.693 ' HB3' ' HA ' ' A' ' 568' ' ' ARG . 0.2 OUTLIER -76.56 -45.78 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.124 -177.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -90.39 -20.97 22.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.266 0.555 . . . . 0.0 110.958 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.683 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -58.03 -48.23 97.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.329 -172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.22 -39.32 91.58 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.844 1.696 . . . . 0.0 112.556 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 0.0 OUTLIER -72.25 -24.13 61.32 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.263 0.554 . . . . 0.0 110.452 178.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 36.7 tp -78.6 -34.62 46.59 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.329 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -59.55 -51.67 68.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.797 173.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 11.8 pt-20 -68.22 -18.99 64.71 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.516 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.66 -57.43 4.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 618' ' ' LEU . 52.8 mt -66.67 -31.0 71.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.723 -177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.69 -59.26 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.895 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.33 69.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.03 -46.52 74.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.372 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 588' ' ' GLN . 3.0 tm? -62.98 -48.3 79.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.63 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.46 -40.77 72.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 589' ' ' THR . . . -65.57 -53.48 41.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 111.014 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 591' ' ' VAL . 67.8 mt -66.18 -35.84 81.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.896 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 584' ' ' LEU . 6.4 mm-40 -65.05 -31.0 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.617 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 586' ' ' ALA . 2.9 t -82.87 -24.99 32.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.475 -174.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.85 -23.69 28.9 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.588 176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 587' ' ' LEU . 81.3 t -79.95 -25.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.378 171.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.99 66.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.763 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 595' ' ' SER . 28.1 t70 -72.67 127.06 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.909 176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.89 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 593' ' ' ASP . 48.2 t -85.05 -9.96 57.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.476 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 36.3 t80 -56.31 -53.15 60.66 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.499 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.34 -7.78 15.16 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 19.8 t -83.59 -11.56 57.19 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -71.97 157.08 90.15 Favored Pre-proline 0 C--O 1.234 0.261 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.33 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 78.5 Cg_exo -49.05 145.97 13.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.232 2.621 . . . . 0.0 112.424 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.442 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 51.0 t60 -53.66 -38.79 64.49 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.776 -177.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.3 -18.67 61.18 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.717 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.658 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.1 mm-40 -84.06 -54.45 4.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.949 0.881 . . . . 0.0 108.749 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.0 p -63.45 -46.74 84.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.817 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.442 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 28.7 mm-40 -61.51 -37.99 85.74 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.907 177.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.3 tmtm? -57.02 -49.9 74.39 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 59.5 t -69.6 -44.92 79.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.458 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.01 -46.92 88.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 110.92 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.62 82.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.621 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 1.6 t70 -64.45 -45.11 88.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.357 0.599 . . . . 0.0 109.634 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 54.7 ttp -59.23 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.784 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.58 72.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.896 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -72.72 -28.4 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.776 177.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.67 -50.94 21.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.163 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.38 -45.01 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 11.1 pt20 -63.25 -42.7 99.21 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.59 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -35.43 80.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 110.216 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 577' ' ' LEU . 32.3 tp -58.2 -46.49 85.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.181 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.5 -37.64 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.756 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -53.36 -53.84 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.633 173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.17 79.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.889 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.407 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -60.78 -45.35 94.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -61.81 -39.98 93.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.556 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.701 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 17.2 tpp180 -58.47 -49.02 78.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.496 ' HB2' HD22 ' A' ' 573' ' ' LEU . 65.6 t90 -61.5 -51.21 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.766 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -28.88 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 0.0 110.66 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.62 ' CE1' HD13 ' A' ' 631' ' ' LEU . 14.2 t80 -68.74 -41.51 78.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.126 172.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 94.8 mt -68.46 -43.45 77.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.074 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.9 -38.25 87.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.791 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.75 32.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.308 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' A' ' 627' ' ' TYR . 8.9 tp -59.59 -34.36 72.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -56.49 -36.65 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.657 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -95.65 -35.47 11.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.093 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -158.62 115.04 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.063 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.464 -1.187 . . . . 0.0 111.583 -178.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.361 0.124 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.0 -71.38 0.19 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.574 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.43 -62.31 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 0.0 110.223 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 16.0 p -95.22 129.52 42.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.33 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 9.0 p -82.17 137.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -74.42 77.92 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.317 0.579 . . . . 0.0 111.183 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -136.35 177.42 7.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 42.5 m 57.77 66.27 1.16 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.269 0.556 . . . . 0.0 110.574 -176.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 20.6 m -73.34 -4.22 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.892 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.7 m -81.73 54.01 2.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.691 0.757 . . . . 0.0 109.854 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.499 ' HE3' ' O ' ' A' ' 631' ' ' LEU . 22.5 tptm -122.02 114.02 20.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.314 -173.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER 55.6 77.25 0.23 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.804 0.69 . . . . 0.0 109.976 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 9.8 t -63.12 161.04 14.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.416 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.25 -34.62 66.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' ' 566' ' ' LEU . 11.0 ptpt -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.819 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 562' ' ' LEU . 4.8 mp -85.41 -32.96 22.07 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 87.2 mt-30 -54.45 -48.76 71.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.339 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 568' ' ' ARG . 2.2 mpt_? -84.16 -21.09 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 9.5 tp10 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.3 tt -75.23 -21.67 58.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.01 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 20.6 mm-40 -60.41 -57.23 13.66 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 111.572 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -97.6 -4.16 38.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.67 -170.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.2 tt -68.55 -47.59 34.85 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.276 -174.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.97 -39.88 76.69 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.821 1.68 . . . . 0.0 111.798 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.82 -24.13 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.461 0.648 . . . . 0.0 110.388 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 31.5 tp -82.34 -34.59 28.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.728 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.452 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.29 -53.23 59.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.56 0.219 . . . . 0.0 110.455 174.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.92 -26.78 67.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.175 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -56.13 6.99 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.132 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' A' ' 618' ' ' LEU . 73.1 mt -66.89 -33.54 75.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.369 -176.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.83 -54.52 37.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.956 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.08 69.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.597 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 47.6 tttp -66.35 -51.97 51.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.959 176.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.36 -48.88 79.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.626 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -55.51 -43.8 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.774 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 111.008 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 591' ' ' VAL . 78.2 mt -74.9 -36.12 62.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.303 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 588' ' ' GLN . 0.0 OUTLIER -75.55 -24.84 56.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 -176.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 12.1 t -81.2 -27.7 35.22 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.227 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 13.3 pt20 -82.83 -22.35 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 587' ' ' LEU . 73.9 t -82.99 -24.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.596 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -68.85 -18.68 64.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.174 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -74.2 -17.7 60.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.105 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 65.5 p -76.58 -15.78 59.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.419 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 74.4 t80 -63.23 -58.59 6.68 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -74.03 0.05 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.746 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.9 t -82.78 -3.83 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 49.1 mt-30 -92.35 167.4 14.95 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.378 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 26.1 Cg_exo -66.68 146.53 79.27 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.69 2.26 . . . . 0.0 111.806 -177.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 605' ' ' GLN . 83.4 t60 -47.04 -51.92 16.21 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 123.448 0.467 . . . . 0.0 110.21 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.32 -35.43 27.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.687 0.617 . . . . 0.0 112.58 -175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -84.67 -43.42 14.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 24.1 p -67.52 -48.58 66.63 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.347 -175.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.641 ' HG2' ' CD2' ' A' ' 601' ' ' HIS . 0.4 OUTLIER -64.12 -21.75 66.66 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 110.639 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.412 ' N ' HE21 ' A' ' 605' ' ' GLN . 1.7 tmtp? -73.12 -45.27 57.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.405 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 59.1 t -68.1 -41.72 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.058 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 604' ' ' THR . 88.6 mt -58.52 -40.64 83.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.14 93.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.099 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.46 -34.94 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -63.86 -48.48 76.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.512 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 615' ' ' GLU . . . -62.75 -36.45 83.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.531 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.61 69.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.89 51.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 612' ' ' ALA . 0.0 OUTLIER -67.44 -39.02 85.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.755 -176.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 3.4 pt20 -68.75 -40.81 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.406 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.64 -43.99 87.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 580' ' ' LEU . 68.0 tp -56.67 -50.74 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.616 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 8.3 pt-20 -68.7 -39.82 80.29 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 12.9 pt20 -72.59 -34.07 67.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.4 80.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -53.46 55.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.549 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -27.95 68.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.385 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.743 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 3.0 tpp180 -59.52 -53.79 54.09 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.474 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.6 t90 -56.37 -49.38 74.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.476 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.51 -36.27 82.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 631' ' ' LEU . 5.2 t80 -65.35 -40.85 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.363 173.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 84.4 mt -68.43 -45.99 71.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.345 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.65 -46.11 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.772 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.16 84.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.499 ' O ' ' HE3' ' A' ' 561' ' ' LYS . 12.8 tp -59.89 -41.86 92.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 632' ' ' LYS . 28.8 ttpt -63.78 -46.18 86.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.853 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -74.84 -35.62 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.434 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -148.22 106.84 0.35 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.091 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.378 -179.53 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 69.63 109.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.391 0 O-C-N 124.034 0.834 . . . . 0.0 109.291 -170.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.57 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.644 0.735 . . . . 0.0 109.498 -167.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 11.2 p -74.99 155.07 37.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.363 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.55 101.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.758 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -73.17 -31.1 64.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.021 0.438 . . . . 0.0 110.208 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 63.11 28.92 16.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.984 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.5 m -64.92 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.941 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . 0.4 ' C ' ' HG ' ' A' ' 560' ' ' SER . 47.4 m -117.86 27.75 8.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.4 ' HG ' ' C ' ' A' ' 559' ' ' SER . 60.8 p 53.51 -83.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 O-C-N 124.1 0.875 . . . . 0.0 110.871 -170.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 73.34 -68.09 0.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.408 0.683 . . . . 0.0 111.906 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 6.5 tp -155.86 130.38 8.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.087 0.47 . . . . 0.0 110.396 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.585 ' H ' HD13 ' A' ' 566' ' ' LEU . 32.4 t -98.39 164.6 12.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.295 176.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -58.58 -32.03 68.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.211 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 568' ' ' ARG . 70.6 mttt -49.5 -51.65 34.84 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.759 HD23 HD22 ' A' ' 628' ' ' LEU . 5.2 mp -75.54 -27.45 58.68 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.227 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 563' ' ' SER . 23.3 mt-30 -57.37 -57.1 14.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.323 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -82.06 -20.4 38.31 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.769 -177.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.5 tp10 -65.16 -50.29 66.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -17.79 61.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.84 -176.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.77 -18.29 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.803 0.335 . . . . 0.0 111.511 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -112.83 -36.29 5.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.047 0.451 . . . . 0.0 111.511 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.0 OUTLIER -50.9 -50.75 72.57 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.001 -171.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.5 Cg_exo -54.64 -46.6 32.15 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 121.955 1.77 . . . . 0.0 112.402 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.71 -29.94 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.5 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 21.0 tp -73.94 -31.5 63.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.982 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -63.31 -54.83 30.9 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 120.499 0.19 . . . . 0.0 110.958 177.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.39 -27.16 68.89 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.351 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.31 -56.25 17.96 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 80.3 mt -68.83 -34.2 75.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.373 -176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.96 -54.04 47.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.285 0.565 . . . . 0.0 109.689 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.78 -19.14 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.478 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.89 -45.13 44.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 584' ' ' LEU . 2.6 tm? -63.24 -47.02 84.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.25 177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -56.32 -41.81 76.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.69 72.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.342 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 591' ' ' VAL . 52.2 mt -85.45 -39.63 17.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.589 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -67.67 -31.36 71.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.8 t -72.7 -26.12 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.63 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 14.4 mm100 -66.03 -46.25 78.55 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 587' ' ' LEU . 22.0 t -76.21 -18.1 15.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.572 -176.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -72.98 -24.43 60.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.934 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.26 128.69 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.172 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.56 -26.03 66.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.657 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 10.0 m -80.66 -7.21 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.815 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 75.1 t80 -56.88 -54.78 42.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.685 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -69.96 -6.95 36.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.699 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.0 m -82.41 -8.07 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.261 0.553 . . . . 0.0 110.283 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.488 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 15.3 mm100 -82.54 169.71 17.17 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.919 176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.523 ' HD2' ' HG2' ' A' ' 603' ' ' GLN . 27.5 Cg_exo -65.9 146.93 84.3 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.514 2.143 . . . . 0.0 112.229 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 47.9 t60 -55.61 -34.02 64.49 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.674 -175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.73 -28.57 63.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.241 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.523 ' HG2' ' HD2' ' A' ' 600' ' ' PRO . 0.0 OUTLIER -85.35 -41.48 15.45 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 20.5 p -67.35 -48.58 67.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.537 HE21 HD12 ' A' ' 608' ' ' LEU . 23.0 mm-40 -58.81 -35.46 72.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -56.32 -52.82 63.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.823 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.415 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 57.7 t -68.13 -46.19 81.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.907 -177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.537 HD12 HE21 ' A' ' 605' ' ' GLN . 94.7 mt -58.73 -49.05 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.284 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.39 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.215 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -69.48 -37.02 77.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.203 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -45.72 88.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.223 176.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.63 88.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.157 0.503 . . . . 0.0 110.219 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.01 79.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.409 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.43 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.862 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.04 -39.69 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -69.14 -36.46 77.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -68.49 -43.98 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 618' ' ' LEU . 2.9 tm? -50.31 -59.96 3.46 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.309 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.73 -40.83 92.58 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.438 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.34 -35.97 80.48 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.824 0.345 . . . . 0.0 110.288 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.0 83.09 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.153 0.502 . . . . 0.0 109.706 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.475 ' HD2' ' CD1' ' A' ' 618' ' ' LEU . 0.2 OUTLIER -60.38 -48.25 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.98 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 21.9 tpp180 -65.54 -45.89 81.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.825 174.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 573' ' ' LEU . 51.5 t90 -58.71 -53.03 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.811 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -63.36 -30.32 71.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.528 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.02 -41.58 86.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.759 HD22 HD23 ' A' ' 566' ' ' LEU . 37.1 mt -65.32 -43.92 89.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.569 0.224 . . . . 0.0 110.587 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.89 -45.6 91.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 175.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.83 97.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.992 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 13.4 tp -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.24 -47.03 87.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.782 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -82.35 -35.81 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.526 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -116.73 57.78 0.5 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.457 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 118.078 -1.401 . . . . 0.0 110.982 176.548 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.363 0.125 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . 70.57 164.63 0.27 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.036 0.835 . . . . 0.0 112.729 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -166.27 123.83 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.86 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 13.1 p -68.59 130.31 42.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.141 0.496 . . . . 0.0 111.181 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.5 133.57 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.934 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -112.93 106.88 15.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.984 0.421 . . . . 0.0 110.123 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.86 79.63 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.896 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.4 m -98.16 16.46 21.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 15.5 t -157.58 112.44 2.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.9 t -155.03 63.86 0.64 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.753 ' HD2' ' HG2' ' A' ' 632' ' ' LYS . 46.7 mmtm 68.79 -76.64 0.06 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.495 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.505 ' CD1' ' HG3' ' A' ' 632' ' ' LYS . 11.9 mt -137.56 173.64 11.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.264 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 10.3 t -82.64 149.82 27.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.01 -37.38 63.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.03 0.832 . . . . 0.0 111.528 -173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 9.1 ptmm? -54.18 -33.27 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.436 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 628' ' ' LEU . 12.9 mt -88.76 -29.2 19.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.639 176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 27.8 mt-30 -55.4 -57.73 10.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.378 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -75.12 -23.48 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 -179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.651 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 2.2 tp10 -61.61 -52.63 63.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.56 0.695 . . . . 0.0 109.551 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 628' ' ' LEU . 0.6 OUTLIER -73.44 -17.89 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.989 -177.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 13.1 mm-40 -69.64 -23.56 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.94 0.4 . . . . 0.0 110.742 174.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -111.1 -36.19 5.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.771 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.2 tt -51.17 -50.91 72.83 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -171.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 50.9 Cg_exo -57.21 -39.09 92.94 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.809 1.672 . . . . 0.0 112.354 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.8 -35.01 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 109.568 176.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 16.3 tp -67.17 -35.09 78.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.003 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.446 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -60.62 -50.28 74.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.245 -0.284 . . . . 0.0 111.287 176.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.14 -18.97 63.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.573 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.18 -56.88 6.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 44.4 mt -66.13 -33.34 75.56 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.163 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 585' ' ' GLU . 36.3 tt0 -60.84 -57.28 13.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.521 176.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.33 73.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.565 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.01 -46.94 76.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.926 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.03 -48.24 77.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.96 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 581' ' ' GLU . 23.9 mm-40 -50.9 -50.73 56.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.96 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.25 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 611' ' ' MET . 89.4 mt -64.93 -47.63 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.147 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -62.78 -21.16 65.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.197 0.523 . . . . 0.0 110.832 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.1 m -87.15 -39.13 15.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.023 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 587' ' ' LEU . 17.5 pt20 -74.22 -25.69 59.81 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.68 174.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.24 -24.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.084 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.36 65.61 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.93 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.42 132.87 47.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -69.25 -23.43 63.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.534 -174.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 29.1 m -86.22 -6.99 58.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.737 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 47.9 t80 -62.36 -55.21 30.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.868 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -68.89 -6.66 28.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.388 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 34.5 m -77.54 -12.24 59.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.024 0.44 . . . . 0.0 110.275 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 604' ' ' THR . 69.4 mt-30 -78.58 156.57 78.0 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.936 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.708 ' HG2' ' HG2' ' A' ' 603' ' ' GLN . 16.9 Cg_endo -62.34 152.4 76.93 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.499 2.133 . . . . 0.0 111.743 176.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.417 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 52.5 t60 -46.5 -33.93 4.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 113.982 -1.463 . . . . 0.0 112.659 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -75.01 -24.59 58.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.708 ' HG2' ' HG2' ' A' ' 600' ' ' PRO . 17.2 mm-40 -82.32 -48.45 11.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.044 0.926 . . . . 0.0 109.063 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.432 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 36.7 p -69.43 -46.53 66.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.213 -1.358 . . . . 0.0 112.011 -171.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.417 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 81.7 mm-40 -63.4 -31.5 72.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.689 0.28 . . . . 0.0 110.837 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 603' ' ' GLN . 14.7 tmtt? -56.53 -43.51 79.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 109.777 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -81.36 -45.36 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.153 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.487 HD21 ' HE2' ' A' ' 596' ' ' PHE . 96.0 mt -59.8 -41.71 91.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.423 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.59 91.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.42 -38.35 81.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.568 ' HA ' HD13 ' A' ' 587' ' ' LEU . 64.0 ttp -58.25 -51.92 67.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.59 69.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -72.65 -32.16 65.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.783 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.82 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.298 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 6.8 pt-20 -61.04 -39.27 89.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.953 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 83.7 mm-40 -65.7 -52.01 54.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.665 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.51 ' HG2' ' CD1' ' A' ' 580' ' ' LEU . 15.5 tt0 -59.63 -36.09 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.915 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' A' ' 580' ' ' LEU . 48.2 tp -57.19 -55.58 32.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.591 0.234 . . . . 0.0 111.174 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 622' ' ' PHE . 8.0 pt-20 -72.98 -35.22 66.84 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.574 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 616' ' ' GLN . 15.6 mm100 -60.11 -44.45 94.84 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.498 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 619' ' ' GLU . 0.2 OUTLIER -62.57 -47.73 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.896 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.35 -37.4 85.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.173 0.511 . . . . 0.0 110.113 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -58.15 -43.39 87.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.087 174.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 58.0 t90 -64.3 -48.01 77.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.516 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.577 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 3.5 mm-40 -60.92 -35.57 77.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.17 -39.56 95.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.51 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 566' ' ' LEU . 40.9 mt -69.62 -46.93 65.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.209 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -57.35 -42.46 82.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.072 0.463 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.44 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.466 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.01 -30.72 71.82 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.989 0.423 . . . . 0.0 110.629 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.753 ' HG2' ' HD2' ' A' ' 561' ' ' LYS . 24.0 ttmt -62.23 -39.75 93.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.452 -177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -85.67 -32.6 21.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.836 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -138.59 105.18 0.47 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.917 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.553 -1.137 . . . . 0.0 111.911 -179.083 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 57.8 mttp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.828 0.347 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.92 60.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.017 0.436 . . . . 0.0 109.939 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 56.74 -88.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.827 -1.078 . . . . 0.0 112.292 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 81.0 m -161.82 -27.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.475 0.655 . . . . 0.0 109.957 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.492 HG12 ' HB2' ' A' ' 557' ' ' ARG . 3.5 t -88.19 131.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.929 -175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -94.56 54.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.492 ' HB2' HG12 ' A' ' 555' ' ' VAL . 21.1 tpt180 -119.7 131.39 55.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -171.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 58.6 p -109.42 -22.89 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.288 0.566 . . . . 0.0 109.671 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 m -88.29 34.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.009 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.0 m -66.2 -61.26 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 109.416 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -128.94 131.1 47.49 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 566' ' ' LEU . 0.5 OUTLIER -49.79 117.74 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.216 1.008 . . . . 0.0 113.349 -166.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.1 t -64.65 171.64 3.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.64 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 82.0 t80 -55.36 -33.96 63.87 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.77 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.739 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 47.8 mtpt -44.99 -47.03 11.47 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.604 0.565 . . . . 0.0 110.593 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 562' ' ' LEU . 8.8 mp -85.84 -26.39 25.72 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.527 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.624 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 75.6 mt-30 -62.32 -49.67 74.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.537 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.36 -21.3 39.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.066 0.46 . . . . 0.0 109.932 177.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.739 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 6.1 tp10 -62.0 -57.33 12.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.667 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.31 -18.97 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.385 -175.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 37.9 mm-40 -76.91 -50.22 13.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.8 0.334 . . . . 0.0 111.399 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.11 -13.42 41.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.62 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -64.33 -48.48 75.74 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.326 -0.369 . . . . 0.0 111.402 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 38.6 Cg_exo -59.08 -34.58 98.86 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 121.927 1.751 . . . . 0.0 111.85 176.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 50.0 mt-30 -73.62 -23.15 59.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.1 tp -79.49 -35.58 39.94 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.182 174.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 622' ' ' PHE . 0.0 OUTLIER -61.87 -48.94 78.27 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.751 175.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.5 pt-20 -64.73 -30.63 71.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.356 -0.537 . . . . 0.0 109.631 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -62.01 -51.35 68.38 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.079 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 65.6 mt -72.82 -34.42 66.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.375 -176.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -67.09 -50.46 61.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -66.08 -25.16 66.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.028 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -69.13 -47.86 63.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.329 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 584' ' ' LEU . 3.2 tm? -59.57 -48.99 79.51 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.7 -38.17 66.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.529 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.84 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.692 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 591' ' ' VAL . 43.5 mt -81.91 -37.11 27.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.727 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -63.34 -31.3 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.191 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.9 t -78.03 -24.47 47.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 0.0 110.705 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 596' ' ' PHE . 12.5 mm-40 -70.03 -50.07 44.99 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 173.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 587' ' ' LEU . 21.2 t -71.08 -15.25 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.563 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.77 -21.83 59.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.768 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.39 133.86 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.112 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.53 -20.29 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.751 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 22.9 t -83.38 -6.99 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.889 0.376 . . . . 0.0 110.239 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 590' ' ' GLN . 62.3 t80 -57.92 -52.31 66.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -75.11 6.78 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.738 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 10.4 t -87.43 -16.49 34.7 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.71 0.766 . . . . 0.0 108.937 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . 0.595 ' HB3' ' HG2' ' A' ' 603' ' ' GLN . 80.6 mm-40 -80.44 167.55 32.12 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.202 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.87 152.74 68.81 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 113.3 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -43.56 -43.49 5.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.966 173.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -54.21 -47.08 72.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.798 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.595 ' HG2' ' HB3' ' A' ' 599' ' ' GLN . 0.0 OUTLIER -85.13 -41.12 15.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.53 -176.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 23.6 p -63.42 -48.85 76.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.429 ' NE2' HD12 ' A' ' 608' ' ' LEU . 19.5 mm-40 -66.16 -35.17 79.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.256 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -54.47 -54.02 46.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 603' ' ' GLN . 60.7 t -66.15 -49.1 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.429 HD12 ' NE2' ' A' ' 605' ' ' GLN . 90.3 mt -58.37 -47.69 83.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.364 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.78 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.1 -33.42 67.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.4 ttp -61.05 -46.58 90.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.329 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.3 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.159 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.446 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -65.44 -34.29 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.942 177.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.41 57.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.336 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.05 -40.61 95.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.151 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.4 pt20 -70.31 -38.24 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.646 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.93 -39.93 83.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 577' ' ' LEU . 36.9 tp -54.27 -52.5 61.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.09 -178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.41 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.763 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.47 65.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.914 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.516 ' CD2' ' HG ' ' A' ' 577' ' ' LEU . 0.3 OUTLIER -65.07 -43.03 93.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 175.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -58.92 -44.89 91.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.0 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.544 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.0 tpp180 -58.7 -44.87 90.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.187 177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 626' ' ' GLU . 60.5 t90 -63.61 -49.29 73.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.331 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.487 ' HG2' ' CE3' ' A' ' 625' ' ' TRP . 6.3 mm-40 -62.82 -34.74 77.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.39 -42.94 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.298 172.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.2 mt -67.31 -49.42 64.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.403 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.47 -39.23 79.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.89 -43.44 71.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.055 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.94 -38.58 88.99 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.071 0.463 . . . . 0.0 110.754 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 562' ' ' LEU . 31.4 ttmt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -78.67 -35.55 45.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.841 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -159.72 115.57 0.67 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 119.071 -0.85 . . . . 0.0 111.812 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.976 0.417 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -146.35 71.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.56 110.16 12.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.409 -172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 3.7 m -141.16 18.24 2.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.795 0.807 . . . . 0.0 109.375 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.658 HG22 ' HG2' ' A' ' 557' ' ' ARG . 3.1 p -136.57 -44.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.544 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt 61.29 -91.67 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.05 0.54 . . . . 0.0 111.789 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.658 ' HG2' HG22 ' A' ' 555' ' ' VAL . 25.9 mmt180 55.44 -156.61 0.25 Allowed 'General case' 0 N--CA 1.462 0.162 0 O-C-N 123.735 0.647 . . . . 0.0 110.349 -177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -99.58 -31.79 11.42 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 166.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 48.7 m 57.24 -93.7 0.04 OUTLIER 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.423 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 23.3 t -160.98 112.71 1.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 561' ' ' LYS . 32.5 ttpt -106.88 -53.67 2.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.455 0.645 . . . . 0.0 109.57 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.7 OUTLIER -125.76 89.44 3.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 5.4 t -62.53 155.15 26.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.497 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 53.6 t80 -56.12 -35.4 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.505 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 14.1 ptmm? -56.52 -29.78 62.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.562 0.22 . . . . 0.0 111.522 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.616 HD23 HD22 ' A' ' 628' ' ' LEU . 4.5 mp -87.31 -33.7 19.12 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 41.1 mt-30 -55.74 -59.78 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.743 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.14 62.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.545 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 8.2 tp10 -69.46 -45.92 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 628' ' ' LEU . 1.1 tt -72.97 -18.96 61.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.677 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 35.2 mm-40 -75.65 -25.72 57.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.788 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -104.81 -33.3 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.197 0.523 . . . . 0.0 111.198 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 625' ' ' TRP . 1.1 tt -48.31 -50.13 58.49 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.936 -172.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 54.0 Cg_exo -54.82 -43.5 58.62 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.033 1.822 . . . . 0.0 112.915 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 575' ' ' GLN . 12.5 mm-40 -69.77 -27.24 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.446 0.641 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 22.5 tp -73.37 -32.86 64.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.543 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 618' ' ' LEU . 0.0 OUTLIER -61.66 -53.09 60.79 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.737 175.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.83 -31.21 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.122 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.43 -52.94 61.57 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 110.275 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 576' ' ' LEU . 81.1 mt -72.26 -31.92 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.55 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.99 -45.35 67.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.58 74.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.496 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.7 -49.2 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.89 -47.81 83.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.663 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.88 -43.0 76.76 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.059 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 589' ' ' THR . . . -64.88 -37.66 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 591' ' ' VAL . 44.7 mt -79.18 -38.95 34.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 588' ' ' GLN . 4.5 mm100 -62.02 -30.34 70.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.614 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.3 t -78.34 -22.25 48.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.023 0.44 . . . . 0.0 110.707 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 13.2 mm100 -74.77 -47.76 29.2 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 173.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 587' ' ' LEU . 32.2 t -70.85 -14.59 18.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 113.998 -1.455 . . . . 0.0 110.401 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -70.2 -33.64 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.537 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 595' ' ' SER . 23.2 t70 -73.88 134.04 43.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.784 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.73 65.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.753 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . 0.455 ' HB2' ' OD2' ' A' ' 593' ' ' ASP . 66.9 m -82.72 -7.11 59.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.492 0.187 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 56.2 t80 -60.55 -51.17 70.57 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.621 176.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -75.26 -7.44 53.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.421 . . . . 0.0 111.134 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.0 m -78.18 -14.7 59.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -80.42 161.17 65.66 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.551 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 31.9 Cg_exo -63.19 152.29 80.5 Favored 'Trans proline' 0 C--N 1.332 -0.299 0 C-N-CA 123.774 2.982 . . . . 0.0 112.917 -176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 27.7 t60 -51.33 -34.86 35.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.572 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.82 -28.22 65.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.382 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.527 ' HG3' ' HD2' ' A' ' 600' ' ' PRO . 9.4 mm100 -84.16 -52.78 5.99 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.568 0.699 . . . . 0.0 109.363 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 49.7 p -62.62 -48.57 78.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.083 -172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.416 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 14.5 mm100 -64.21 -33.12 75.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.31 -50.7 72.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 61.8 t -69.7 -48.63 63.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.28 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.429 HD21 ' HE2' ' A' ' 596' ' ' PHE . 97.8 mt -59.5 -46.1 89.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.345 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.44 94.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.691 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.86 -35.58 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.399 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.417 ' HA ' HD13 ' A' ' 587' ' ' LEU . 61.1 ttp -60.3 -48.51 81.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.311 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 615' ' ' GLU . . . -65.04 -36.92 85.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.762 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.458 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.15 -29.82 68.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.61 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 612' ' ' ALA . 8.8 pt-20 -66.68 -41.42 88.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.186 -178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 10.7 pt20 -67.32 -34.76 78.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.661 ' HA ' HE21 ' A' ' 620' ' ' GLN . 33.3 tp10 -69.42 -42.7 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 577' ' ' LEU . 62.5 tp -58.33 -51.71 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.194 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.21 -36.97 80.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.661 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.8 pt20 -72.05 -38.26 69.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.327 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.69 82.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.945 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -54.81 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 177.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -65.12 -31.43 72.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.686 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 16.9 tpp180 -61.55 -46.97 87.67 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.511 ' HB2' HD22 ' A' ' 573' ' ' LEU . 63.9 t90 -58.38 -49.68 76.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.223 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.3 -41.77 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 631' ' ' LEU . 6.6 t80 -63.47 -41.26 98.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 53.6 mt -65.98 -43.58 87.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 110.693 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.59 -42.65 98.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.53 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.33 87.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.224 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 627' ' ' TYR . 10.1 tp -66.17 -35.15 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -60.66 -29.94 69.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.362 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -91.04 -36.54 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.776 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -142.12 103.22 0.32 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.342 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.83 -0.983 . . . . 0.0 111.682 179.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.755 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -170.83 144.43 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.269 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.92 -67.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 555' ' ' VAL . 50.6 m 63.75 100.11 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.694 0.621 . . . . 0.0 110.855 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 554' ' ' THR . 2.3 m 63.36 135.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.3 1.44 . . . . 0.0 112.385 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -84.39 55.64 3.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.801 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 68.84 -70.77 0.13 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.963 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.7 m -156.02 110.67 2.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.87 0.366 . . . . 0.0 110.305 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 37.7 t -92.47 126.45 37.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.404 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.8 t -70.05 -14.84 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.925 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.903 ' HG3' ' HA3' ' A' ' 635' ' ' GLY . 35.2 ttpt 70.7 -67.52 0.24 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.337 177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.557 HD12 ' HG2' ' A' ' 567' ' ' GLN . 0.7 OUTLIER -116.18 101.94 9.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 8.4 t -70.13 145.97 51.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 76.4 t80 -52.73 -31.71 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.409 -175.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.598 ' HG3' HD12 ' A' ' 566' ' ' LEU . 5.1 ptpp? -62.92 -28.67 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.692 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.634 HD23 HD22 ' A' ' 628' ' ' LEU . 4.3 mp -85.91 -27.0 25.25 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.557 ' HG2' HD12 ' A' ' 562' ' ' LEU . 0.2 OUTLIER -54.6 -59.71 4.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.604 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 568' ' ' ARG . 3.5 mpt_? -76.83 -20.88 55.83 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.221 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 35.2 tt0 -66.08 -46.07 78.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-O 121.543 0.687 . . . . 0.0 109.355 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.621 ' O ' ' HD3' ' A' ' 574' ' ' PRO . 5.3 tt -69.0 -30.64 69.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.669 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.49 -17.11 46.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -172.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 569' ' ' GLU . 3.6 pt20 -98.26 -33.4 11.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.12 0.962 . . . . 0.0 110.164 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.7 tt -51.79 -43.05 87.46 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.567 -173.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 570' ' ' LEU . 31.6 Cg_exo -60.25 -37.38 83.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.732 1.621 . . . . 0.0 112.159 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -67.58 -26.14 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.579 0.704 . . . . 0.0 109.854 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 19.8 tp -81.89 -35.83 28.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.723 176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.21 -51.48 69.82 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.988 173.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.23 -24.16 66.55 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.254 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.22 -54.1 16.51 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.102 0.477 . . . . 0.0 110.156 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.471 ' HB2' HD13 ' A' ' 618' ' ' LEU . 69.2 mt -70.6 -31.61 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.935 -176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.29 -56.73 15.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.81 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.641 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -67.8 -48.03 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.83 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.95 -46.43 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.813 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -55.22 -40.84 71.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 110.906 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 589' ' ' THR . . . -68.84 -48.24 63.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.666 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 591' ' ' VAL . 80.7 mt -68.51 -41.95 79.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.276 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.72 -29.15 70.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.393 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 586' ' ' ALA . 1.2 t -79.82 -23.39 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 586' ' ' ALA . 33.6 mm-40 -69.43 -49.9 50.77 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 587' ' ' LEU . 43.3 t -71.09 -17.29 19.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.644 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -71.26 -20.1 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.919 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.89 136.26 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.469 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -73.84 -21.18 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.004 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 50.9 m -86.24 -6.81 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.873 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 607' ' ' VAL . 39.7 t80 -58.81 -52.1 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.74 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.51 3.3 5.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.617 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.9 t -90.32 -3.4 57.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -87.42 162.1 43.66 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.793 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.74 152.31 57.58 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.282 2.655 . . . . 0.0 112.777 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -51.22 -36.11 40.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.655 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.19 -24.94 61.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.116 -176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -83.59 -53.64 5.52 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.745 0.783 . . . . 0.0 109.441 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . . . . . . . . . 34.5 p -65.8 -48.0 73.19 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.953 -171.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.99 -31.34 72.54 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 610' ' ' ASP . 8.8 tmtm? -60.93 -51.86 67.48 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 596' ' ' PHE . 60.4 t -66.17 -42.95 92.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.087 -178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.75 -43.84 92.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.399 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -69.82 -38.53 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.337 . . . . 0.0 110.515 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 606' ' ' LYS . 21.1 t0 -66.43 -41.95 88.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.797 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.07 -49.89 75.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.796 176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.16 75.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.78 67.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.96 -53.8 34.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 619' ' ' GLU . 8.8 pt-20 -63.69 -44.14 94.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.757 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.597 ' O ' ' HG2' ' A' ' 620' ' ' GLN . 14.2 mm100 -57.75 -46.56 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.903 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.853 ' HA ' HE21 ' A' ' 620' ' ' GLN . 8.6 tp10 -64.66 -42.18 95.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.882 0.372 . . . . 0.0 110.218 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 580' ' ' LEU . 44.9 tp -57.63 -50.69 72.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.017 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 615' ' ' GLU . 6.7 mt-10 -70.02 -43.35 71.51 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.387 -174.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.853 HE21 ' HA ' ' A' ' 617' ' ' GLU . 26.1 pt20 -65.62 -33.57 76.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.565 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -69.34 -37.97 77.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.856 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.405 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.5 OUTLIER -61.35 -47.59 85.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 175.412 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.11 -38.81 80.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.542 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.691 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 19.5 tpp180 -59.78 -51.88 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.443 ' HB2' HD22 ' A' ' 573' ' ' LEU . 58.8 t90 -57.36 -53.3 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.146 -175.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.34 -30.74 71.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.445 ' HE1' HD13 ' A' ' 631' ' ' LEU . 2.9 t80 -65.62 -44.42 86.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.04 172.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 68.5 mt -63.13 -40.27 97.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.332 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 632' ' ' LYS . 42.7 mm-40 -60.36 -53.47 57.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.86 -33.04 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.903 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.445 HD13 ' HE1' ' A' ' 627' ' ' TYR . 18.4 tp -62.57 -32.18 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 629' ' ' GLU . 10.8 mtmp? -67.55 -23.0 65.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.161 0.505 . . . . 0.0 110.264 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -90.73 -35.68 14.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.71 -175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -133.86 80.64 0.32 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.231 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.903 ' HA3' ' HG3' ' A' ' 561' ' ' LYS . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.759 -1.023 . . . . 0.0 112.152 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.565 0.221 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -139.1 28.6 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.237 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.2 68.82 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.142 0.496 . . . . 0.0 110.267 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.705 HG23 HG23 ' A' ' 555' ' ' VAL . 7.7 t -83.23 -35.97 24.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.705 HG23 HG23 ' A' ' 554' ' ' THR . 41.8 t -105.33 126.18 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 556' ' ' LYS . 11.4 mptt -86.66 76.49 9.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.313 0.578 . . . . 0.0 111.785 -170.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -87.05 67.13 9.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 170.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 45.9 m 67.65 -80.65 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.154 -172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 41.9 m 65.33 -67.16 0.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.402 0.681 . . . . 0.0 111.971 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 19.7 t -115.21 -50.16 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm 65.1 -77.23 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.529 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.553 HD12 HD23 ' A' ' 631' ' ' LEU . 6.8 tp -136.53 127.65 27.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.344 -172.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 18.5 t -79.23 155.95 28.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 567' ' ' GLN . 80.8 t80 -57.61 -30.37 65.27 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.694 ' O ' ' HB2' ' A' ' 569' ' ' GLU . 36.9 mttp -48.56 -51.47 27.51 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 628' ' ' LEU . 4.9 mp -77.48 -31.7 53.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.251 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 564' ' ' TYR . 29.3 mt-30 -57.38 -54.58 45.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.794 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 565' ' ' LYS . 0.0 OUTLIER -81.43 -20.46 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.278 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.694 ' HB2' ' O ' ' A' ' 565' ' ' LYS . 4.5 tp10 -62.45 -55.11 30.76 Favored 'General case' 0 C--O 1.225 -0.234 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 628' ' ' LEU . 13.8 tp -63.4 -18.72 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.784 -177.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.92 -37.48 29.5 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 121.083 0.468 . . . . 0.0 110.844 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -100.94 -28.4 12.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.212 0.53 . . . . 0.0 111.373 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.4 tt -48.73 -47.47 71.84 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.253 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 53.9 Cg_exo -54.79 -39.99 87.1 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.035 1.824 . . . . 0.0 112.552 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 578' ' ' GLU . 1.9 mp0 -71.84 -27.59 62.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.187 0.518 . . . . 0.0 110.336 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 8.6 tp -72.24 -36.41 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.203 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -61.25 -55.11 35.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 175.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 575' ' ' GLN . 12.2 pt-20 -63.64 -22.66 67.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.44 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -55.12 14.1 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.342 0.591 . . . . 0.0 109.756 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 617' ' ' GLU . 63.9 mt -70.15 -32.61 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.448 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.47 -48.87 65.89 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.26 67.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.302 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.39 -48.52 69.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.511 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.01 -47.86 84.08 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.662 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.06 -42.95 69.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.741 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.77 92.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 0.0 110.629 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 611' ' ' MET . 34.3 mt -73.83 -44.85 54.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.61 -22.87 66.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 1.6 t -88.24 -26.28 22.43 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.825 -177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -83.5 -33.08 25.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 587' ' ' LEU . 83.8 t -72.41 -20.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.933 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.1 -31.31 72.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.273 176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -73.22 125.92 28.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.022 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.09 65.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 1.6 m -77.23 -15.45 59.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.428 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.435 ' HZ ' ' HB ' ' A' ' 607' ' ' VAL . 35.8 t80 -61.88 -48.83 78.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.797 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -72.58 2.54 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.513 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 8.3 t -87.21 -2.58 58.73 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -89.35 164.61 29.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.325 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.527 ' HD2' ' HG3' ' A' ' 603' ' ' GLN . 33.6 Cg_exo -59.97 151.29 72.99 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.043 2.495 . . . . 0.0 112.362 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.16 -34.42 63.79 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.818 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.59 -22.77 50.38 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.388 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.7 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 8.1 mm-40 -79.54 -48.47 13.79 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 109.269 174.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.468 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 43.7 p -67.1 -47.86 69.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.03 -174.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -62.26 -34.12 75.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.029 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 603' ' ' GLN . 0.0 OUTLIER -73.33 -22.45 60.31 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.067 0.46 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 603' ' ' GLN . 94.7 t -84.2 -46.79 17.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.3 mt -58.9 -48.17 82.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.406 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -66.93 -35.77 80.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.62 -33.49 66.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.436 ' HA ' HD13 ' A' ' 587' ' ' LEU . 58.1 ttp -60.85 -51.8 67.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.921 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.26 77.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.671 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 616' ' ' GLN . . . -68.44 -31.02 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 177.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -68.96 -49.05 61.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.1 -41.88 85.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.211 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 613' ' ' ALA . 3.9 pt20 -68.01 -36.58 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.617 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 620' ' ' GLN . 57.1 tt0 -69.63 -37.33 76.76 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.443 HD12 HD12 ' A' ' 577' ' ' LEU . 64.8 tp -58.99 -52.99 63.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 623' ' ' GLU . 7.2 pt-20 -70.83 -37.42 73.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 617' ' ' GLU . 13.8 pt20 -67.51 -33.86 75.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.07 0.462 . . . . 0.0 110.367 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.98 62.47 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.82 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 577' ' ' LEU . 0.2 OUTLIER -62.88 -51.78 65.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.173 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 619' ' ' GLU . 8.9 pt-20 -63.82 -32.11 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.705 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 12.6 tpp180 -64.02 -47.38 80.52 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.494 ' HB2' HD22 ' A' ' 573' ' ' LEU . 72.4 t90 -57.39 -50.79 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.332 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.39 -37.18 82.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.438 ' HE1' HD13 ' A' ' 631' ' ' LEU . 1.7 t80 -63.69 -39.76 95.12 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.678 174.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 47.7 mt -65.97 -44.79 83.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.659 0.266 . . . . 0.0 110.794 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' A' ' 570' ' ' LEU . 5.5 mm-40 -61.09 -45.01 96.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.303 0.573 . . . . 0.0 110.187 173.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.373 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 562' ' ' LEU . 14.0 tp -69.25 -39.66 78.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.986 0.422 . . . . 0.0 110.442 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.1 -42.75 86.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.429 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -84.73 -36.21 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.172 -177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -113.1 78.04 0.25 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.539 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.675 -1.069 . . . . 0.0 111.141 177.876 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.799 0.333 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -84.25 44.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 112.082 -173.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.63 -26.58 15.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 12.5 p -78.01 153.4 32.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.911 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 46.4 t -77.56 110.92 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.415 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.96 123.54 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.603 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 557' ' ' ARG . 14.5 mmm180 -92.77 75.35 4.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 0.0 111.248 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.7 m -121.38 121.48 37.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.987 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 24.0 p -68.15 134.41 50.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 51.5 m -70.66 -10.98 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.017 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -119.3 98.05 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.806 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 566' ' ' LEU . 0.3 OUTLIER 63.55 73.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.395 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 566' ' ' LEU . 16.9 t -52.29 151.23 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.227 175.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 567' ' ' GLN . 64.4 t80 -55.51 -29.12 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.983 -175.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.518 ' HG3' HD12 ' A' ' 566' ' ' LEU . 21.7 ptmt -66.04 -28.09 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.028 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 628' ' ' LEU . 4.8 mp -83.19 -31.35 27.15 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 571' ' ' GLU . 80.2 mt-30 -55.68 -46.55 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.153 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 572' ' ' GLN . 2.5 mpt_? -84.12 -24.36 30.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.765 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.629 ' O ' ' HB2' ' A' ' 573' ' ' LEU . 4.4 tp10 -62.09 -42.37 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.755 0.788 . . . . 0.0 109.113 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 570' ' ' LEU . 1.6 tt -77.18 -18.33 57.87 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.59 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 567' ' ' GLN . 67.1 mm-40 -73.99 -43.74 57.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.92 -0.488 . . . . 0.0 111.186 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 568' ' ' ARG . 2.9 pt20 -86.3 -32.17 21.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.03 -175.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 569' ' ' GLU . 1.3 tt -53.99 -49.18 91.18 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.032 -0.985 . . . . 0.0 112.597 -172.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 573' ' ' LEU . 39.4 Cg_exo -59.24 -40.7 66.52 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.063 1.842 . . . . 0.0 112.436 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -65.66 -30.62 71.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.001 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 580' ' ' LEU . 20.7 tp -72.95 -35.96 67.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.601 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 577' ' ' LEU . 0.0 OUTLIER -59.64 -53.2 60.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.887 175.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.66 -21.28 64.46 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.54 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -55.08 17.5 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.411 0.624 . . . . 0.0 109.405 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.546 ' HB2' HD13 ' A' ' 618' ' ' LEU . 40.6 mt -71.08 -29.36 65.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.061 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.99 -52.63 47.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.533 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.1 -49.13 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.589 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.73 -48.6 81.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.493 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.08 -38.01 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.961 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -70.64 -39.41 73.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.262 0.553 . . . . 0.0 111.221 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 591' ' ' VAL . 59.4 mt -79.15 -37.34 38.7 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 588' ' ' GLN . 3.8 mm100 -67.71 -27.25 66.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' THR . . . . . . . . . . . . . 5.0 t -81.82 -26.07 34.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.415 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 587' ' ' LEU . 10.5 pt20 -84.11 -24.63 30.22 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 587' ' ' LEU . 97.2 t -83.39 -18.68 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.99 173.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.546 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.4 132.81 45.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.173 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -72.35 -22.35 61.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.525 -175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 20.1 m -86.16 -8.36 57.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.826 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' PHE . . . . . 0.442 ' HE2' HD21 ' A' ' 608' ' ' LEU . 44.4 t80 -58.15 -47.86 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -73.15 5.63 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.631 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 22.6 t -89.7 -9.09 50.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -80.33 153.28 74.03 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.399 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.578 ' HB2' ' HG2' ' A' ' 603' ' ' GLN . 72.2 Cg_exo -48.04 150.04 5.25 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.5 2.8 . . . . 0.0 112.805 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' HIS . . . . . 0.481 ' NE2' ' HG3' ' A' ' 605' ' ' GLN . 41.2 t60 -53.85 -37.53 63.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.78 -31.94 71.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.653 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.578 ' HG2' ' HB2' ' A' ' 600' ' ' PRO . 6.0 mm100 -75.69 -52.78 9.73 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 122.027 0.918 . . . . 0.0 109.354 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 608' ' ' LEU . 27.3 p -65.17 -47.25 77.67 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.625 -173.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.481 ' HG3' ' NE2' ' A' ' 601' ' ' HIS . 11.3 mm100 -61.56 -35.39 77.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.5 0.19 . . . . 0.0 111.162 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -57.23 -40.02 76.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.257 0.551 . . . . 0.0 110.009 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.441 ' HB ' ' HZ ' ' A' ' 596' ' ' PHE . 61.3 t -81.87 -46.44 19.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.835 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 604' ' ' THR . 94.9 mt -58.65 -43.1 89.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.525 -177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . . . . . . . . . . . -65.82 -43.44 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.787 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.85 -37.77 87.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.105 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.421 ' HA ' HD13 ' A' ' 587' ' ' LEU . 63.3 ttp -62.22 -49.4 75.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.883 175.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.01 88.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.641 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 616' ' ' GLN . . . -70.45 -25.5 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.02 50.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.62 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 619' ' ' GLU . 9.1 pt-20 -68.06 -38.11 82.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.577 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 613' ' ' ALA . 5.2 tp60 -53.12 -51.93 60.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.536 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.13 -43.5 82.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.148 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 580' ' ' LEU . 62.3 tp -57.24 -50.68 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.707 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 615' ' ' GLU . 14.2 pt-20 -68.52 -40.62 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.579 -174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.25 -34.49 70.79 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.702 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 624' ' ' ARG . . . -71.37 -33.99 70.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.202 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -50.63 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.553 178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.73 -28.22 67.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.695 ' O ' ' HG ' ' A' ' 628' ' ' LEU . 11.5 tpt180 -60.29 -51.3 70.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' TRP . . . . . 0.453 ' HB2' HD22 ' A' ' 573' ' ' LEU . 70.4 t90 -59.04 -51.76 68.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.497 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -59.61 -34.68 73.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.55 -42.54 86.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.29 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 624' ' ' ARG . 73.7 mt -65.49 -45.16 84.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.85 -177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.75 -45.77 91.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.901 0.381 . . . . 0.0 110.92 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.98 77.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.145 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.24 -42.22 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.182 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.457 ' HD3' ' HG ' ' A' ' 562' ' ' LEU . 24.9 ttpp -65.47 -33.19 75.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.053 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -83.92 -36.75 23.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -128.03 98.37 0.48 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.376 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.865 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.262 . . . . . . . . 0 0 . 1 stop_ save_