data_2lww_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 2lww _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.855 1.059 . . . . 6.0 114.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.734 0.272 . . . . 6.0 111.734 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.048 0.451 . . . . 6.0 111.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.544 0.999 0 N-CA-C 116.071 1.527 . . . . 6.0 116.071 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.008 -0.367 . . . . 6.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.535 0.545 0 N-CA-C 114.622 0.97 . . . . 6.0 114.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.825 0.676 . . . . 6.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . 0.414 ' HA ' ' CD2' ' B' ' 440' ' ' HIS . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' B' ' 437' ' ' ALA . 54.7 m-70 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.873 0.368 . . . . 6.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 CA--C 1.53 0.322 0 N-CA-C 114.016 0.737 . . . . 6.0 114.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.515 0.561 . . . . 6.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.927 -0.397 . . . . 6.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 CA--C 1.536 0.618 0 N-CA-C 112.968 0.334 . . . . 6.0 112.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.782 0.66 . . . . 6.0 112.782 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.534 0.491 0 N-CA-C 113.935 0.706 . . . . 6.0 113.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.691 0.997 . . . . 6.0 113.691 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.699 0.285 . . . . 6.0 111.603 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.648 0 N-CA-C 114.351 0.866 . . . . 6.0 114.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 121.61 0.719 . . . . 6.0 112.665 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.926 0.713 . . . . 6.0 112.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.607 0 N-CA-C 114.507 0.926 . . . . 6.0 114.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . 0.411 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 111.847 0.314 . . . . 6.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.19 0.519 . . . . 6.0 111.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 N-CA-C 114.555 0.944 . . . . 6.0 114.555 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.408 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.6 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . 0.408 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.46 0.171 . . . . 6.0 111.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 CA--C 1.533 0.454 0 N-CA-C 114.612 0.966 . . . . 6.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 112.883 0.697 . . . . 6.0 112.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 CA--C 1.534 0.519 0 N-CA-C 114.253 0.828 . . . . 6.0 114.253 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . 0.419 ' HZ3' ' HB2' ' B' ' 447' ' ' GLU . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . 0.41 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 114.788 1.403 . . . . 6.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.419 ' HB2' ' HZ3' ' A' ' 365' ' ' LYS . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.343 0.498 . . . . 6.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.536 0.6 0 N-CA-C 113.46 0.523 . . . . 6.0 113.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.327 0.492 . . . . 6.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.882 -0.414 . . . . 6.0 109.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 113.89 0.688 . . . . 6.0 113.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 111.218 0.081 . . . . 6.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 114.128 0.78 . . . . 6.0 114.128 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.418 HE22 ' HG2' ' A' ' 431' ' ' PRO . 29.0 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . 0.418 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.036 0.384 . . . . 6.0 112.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.813 0.339 . . . . 6.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 114.655 0.983 . . . . 6.0 114.655 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.008 0.373 . . . . 6.0 112.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.199 -0.297 . . . . 6.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 109.835 -0.431 . . . . 6.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.77 0.319 . . . . 6.0 111.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.534 0.493 0 N-CA-C 114.628 0.972 . . . . 6.0 114.628 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.664 0.269 . . . . 6.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 111.797 0.295 . . . . 6.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.532 0.415 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.514 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . 0.514 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 114.024 1.12 . . . . 6.0 114.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.536 0.622 0 N-CA-C 114.435 0.898 . . . . 6.0 114.435 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.401 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.1 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . 0.401 ' HG2' HE22 ' A' ' 354' ' ' GLN . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.186 0.81 . . . . 6.0 113.186 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.435 -0.209 . . . . 6.0 110.435 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.536 0.587 0 N-CA-C 114.363 0.87 . . . . 6.0 114.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' GLN . . . . . 0.454 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.588 0.232 . . . . 6.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 112.8 0.667 . . . . 6.0 112.8 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 463' ' ' THR . . . . . 0.454 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 113.824 1.046 . . . . 6.0 113.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -132.91 156.95 46.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.378 1.871 . . . . 6.0 112.23 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.15 164.69 54.74 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 124.12 0.867 . . . . 6.0 114.181 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.63 163.31 38.87 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.982 3.121 . . . . 6.0 112.842 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.7 p -73.6 -21.97 60.17 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.654 1.181 . . . . 6.0 113.58 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.68 155.8 43.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.478 1.911 . . . . 6.0 110.864 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.78 138.63 14.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.389 1.075 . . . . 6.0 111.335 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.18 -21.02 72.21 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.496 2.798 . . . . 6.0 114.855 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t -61.01 -29.13 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -89.33 113.52 24.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.481 1.113 . . . . 6.0 110.483 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -90.09 -0.38 57.57 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 124.556 1.143 . . . . 6.0 112.153 179.64 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 N-CA-C 114.667 0.627 . . . . 6.0 114.667 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 52.2 p -68.87 -35.61 77.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.716 1.258 . . . . 6.0 113.135 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -145.19 149.03 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.105 1.762 . . . . 6.0 111.17 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -153.4 147.71 25.86 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.417 1.487 . . . . 6.0 111.293 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -80.29 -46.15 16.67 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 6.0 112.131 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 21.5 t -161.53 151.1 16.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.801 1.64 . . . . 6.0 110.986 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 28.5 m -101.04 86.85 3.13 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.135 1.374 . . . . 6.0 108.639 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -144.12 151.78 40.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 6.0 112.247 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 161.64 23.92 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.856 1.262 . . . . 6.0 112.742 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -163.9 -174.18 33.42 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.974 0.797 . . . . 6.0 114.78 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -122.29 147.43 46.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.027 1.731 . . . . 6.0 110.315 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.01 2.14 57.55 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.303 1.43 . . . . 6.0 115.713 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 38.9 p -69.44 -43.64 72.89 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.018 1.409 . . . . 6.0 112.646 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.81 -38.09 67.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.252 1.021 . . . . 6.0 111.734 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.59 -14.94 58.48 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.23 172.2 47.39 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.882 1.23 . . . . 6.0 114.002 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.16 -21.46 58.76 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.236 1.198 . . . . 6.0 114.236 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 56.4 m -125.3 142.02 51.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.3 1.44 . . . . 6.0 112.332 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p -132.97 173.82 11.0 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.418 1.887 . . . . 6.0 111.309 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 179.63 -138.41 3.44 Favored Glycine 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -40.95 119.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.161 1.784 . . . . 6.0 115.118 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.6 p -177.88 -176.05 0.54 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.278 2.631 . . . . 6.0 109.622 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 68.1 mtp -82.92 -23.68 33.41 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.396 -0.815 . . . . 6.0 112.242 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 25.5 p -157.41 126.57 5.89 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.658 1.983 . . . . 6.0 109.956 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -144.47 150.53 37.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.329 1.051 . . . . 6.0 113.433 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 16.4 m -75.82 -27.15 57.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.517 1.127 . . . . 6.0 113.998 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.6 t -155.79 174.5 15.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.38 1.072 . . . . 6.0 112.617 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.46 113.67 11.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.31 1.844 . . . . 6.0 109.55 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.76 147.12 99.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.555 1.142 . . . . 6.0 113.426 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.351 0.685 0 C-N-CA 123.675 2.916 . . . . 6.0 112.594 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -133.67 157.86 44.72 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.405 1.882 . . . . 6.0 112.205 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.66 163.22 54.8 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.109 0.861 . . . . 6.0 114.157 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.12 158.13 55.76 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.891 3.061 . . . . 6.0 113.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 41.6 p -81.55 -15.77 53.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.985 1.314 . . . . 6.0 113.84 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.46 15.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.163 1.785 . . . . 6.0 112.139 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -138.57 154.03 72.97 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 125.172 1.389 . . . . 6.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -87.66 -32.22 0.18 Allowed 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 123.005 2.47 . . . . 6.0 116.071 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m -66.55 -13.94 61.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.96 143.97 31.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.289 1.836 . . . . 6.0 109.903 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.29 -15.06 62.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 126.526 1.931 . . . . 6.0 111.631 179.233 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 114.928 0.731 . . . . 6.0 114.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 48.6 m -67.55 150.2 49.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.14 1.376 . . . . 6.0 113.228 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.1 156.57 38.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.373 1.069 . . . . 6.0 111.987 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.34 139.84 58.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.859 0.863 . . . . 6.0 111.23 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -88.22 -15.66 35.35 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.021 1.489 . . . . 6.0 115.021 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 45.2 m -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.567 1.547 . . . . 6.0 112.08 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 24.0 m -60.2 131.81 51.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.862 1.265 . . . . 6.0 110.939 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.51 156.77 26.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.778 0.831 . . . . 6.0 112.767 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 165.02 25.89 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.613 1.165 . . . . 6.0 113.582 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.2 -174.23 30.75 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.849 1.214 . . . . 6.0 114.67 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -78.08 -3.4 42.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.483 1.66 . . . . 6.0 115.483 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.93 80.23 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 121.11 -0.994 . . . . 6.0 114.348 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.9 t -145.5 152.18 39.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.927 2.091 . . . . 6.0 109.711 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -18.76 62.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.08 -18.69 63.66 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 98.83 -168.73 22.65 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.967 1.27 . . . . 6.0 114.104 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -75.82 -20.12 58.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.329 1.052 . . . . 6.0 113.814 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 69.5 m -131.46 168.63 17.3 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.994 1.718 . . . . 6.0 111.941 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p -146.51 177.57 8.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.649 1.979 . . . . 6.0 110.008 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 80.92 156.05 13.48 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.65 159.7 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.86 2.064 . . . . 6.0 112.508 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 50.1 m -79.88 140.81 36.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.196 0.598 . . . . 6.0 110.542 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 30.2 tpp -71.7 148.23 46.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.727 -0.608 . . . . 6.0 111.361 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.2 m -53.64 138.2 35.33 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.082 1.353 . . . . 6.0 114.505 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -145.53 154.43 42.19 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.566 1.546 . . . . 6.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 17.6 m -78.93 45.12 0.59 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.061 1.744 . . . . 6.0 114.059 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 21.7 m -64.68 123.31 18.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.475 1.11 . . . . 6.0 110.99 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.7 -24.42 38.85 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.034 1.494 . . . . 6.0 115.034 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -90.44 137.02 27.66 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.63 1.172 . . . . 6.0 111.364 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.433 . . . . 6.0 111.671 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.638 0.977 . . . . 6.0 113.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 39.7 p -76.05 -20.06 58.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.261 1.425 . . . . 6.0 113.795 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -176.51 74.59 0.08 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.82 1.2 . . . . 6.0 112.932 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.58 154.09 56.75 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.928 3.085 . . . . 6.0 114.163 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.3 p -74.87 -25.21 58.81 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.366 1.066 . . . . 6.0 113.08 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -151.43 161.67 42.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.968 2.107 . . . . 6.0 110.269 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -140.4 149.77 58.73 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.403 1.081 . . . . 6.0 111.997 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.35 -25.45 49.16 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.204 2.603 . . . . 6.0 114.622 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m -63.85 -13.96 49.15 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.38 146.75 37.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 6.0 111.599 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.26 18.9 21.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.285 1.434 . . . . 6.0 113.207 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 . . . . . 0 N--CA 1.481 1.078 0 C-N-CA 125.128 1.371 . . . . 6.0 112.277 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.322 0 N-CA-C 113.862 0.305 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.4 t -155.94 156.12 33.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.467 1.107 . . . . 6.0 112.475 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -75.05 118.89 18.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.099 1.36 . . . . 6.0 110.862 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 26.1 mmt -134.97 135.24 41.29 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.201 1.401 . . . . 6.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.53 -1.47 22.97 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.284 1.433 . . . . 6.0 114.429 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 42.6 m -85.48 156.35 20.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.29 1.436 . . . . 6.0 112.923 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 18.2 m -66.82 135.67 54.27 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.225 1.01 . . . . 6.0 111.788 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -139.24 122.23 16.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.394 1.077 . . . . 6.0 113.015 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.15 59.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.258 1.207 . . . . 6.0 114.258 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.05 -128.54 30.47 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.029 1.299 . . . . 6.0 113.083 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -127.04 12.03 7.13 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.057 1.743 . . . . 6.0 111.88 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -95.38 -161.38 33.77 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.603 1.573 . . . . 6.0 115.715 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 12.6 t -154.57 171.87 18.75 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.338 2.255 . . . . 6.0 109.534 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.61 -40.93 84.68 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.846 -1.159 . . . . 6.0 112.825 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . 0.414 ' HA ' ' CD2' ' B' ' 440' ' ' HIS . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' B' ' 437' ' ' ALA . 54.7 m-70 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.8 -17.39 64.6 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.64 -166.72 12.18 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.319 1.914 . . . . 6.0 113.072 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.46 -24.18 64.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.97 0.908 . . . . 6.0 113.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 165.62 29.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.082 1.753 . . . . 6.0 111.947 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p -121.6 171.53 8.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.931 1.692 . . . . 6.0 111.619 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 101.84 135.28 8.77 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 8.2 m -100.34 165.64 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.974 2.11 . . . . 6.0 111.265 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 54.2 m -102.23 157.46 16.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.827 0.851 . . . . 6.0 112.89 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -114.97 138.59 50.66 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.585 1.554 . . . . 6.0 108.897 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 12.1 t -105.02 134.17 48.58 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.498 1.119 . . . . 6.0 112.569 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -141.06 144.54 35.01 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.366 1.466 . . . . 6.0 110.694 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 19.5 m -57.63 -25.0 59.48 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.291 1.219 . . . . 6.0 114.291 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 25.1 p -65.5 -19.47 65.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.383 1.473 . . . . 6.0 113.638 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -83.51 -10.43 58.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.397 1.079 . . . . 6.0 113.474 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.44 143.7 27.15 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.149 1.38 . . . . 6.0 112.619 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 CA--C 1.537 0.669 0 C-N-CA 123.459 2.773 . . . . 6.0 112.396 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.769 1.025 . . . . 6.0 113.769 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 32.3 p -132.18 151.01 52.02 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.186 1.794 . . . . 6.0 112.2 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.13 168.08 54.84 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 124.228 0.918 . . . . 6.0 114.67 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.91 166.18 28.64 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.313 3.342 . . . . 6.0 113.269 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.5 t -64.18 -27.47 69.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.243 1.017 . . . . 6.0 113.139 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.72 146.46 36.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.247 1.819 . . . . 6.0 110.132 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.08 131.2 93.32 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 123.484 0.714 . . . . 6.0 112.37 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.04 -40.93 14.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.153 2.569 . . . . 6.0 114.016 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p -69.54 -12.6 61.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -122.62 155.11 37.01 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.498 2.319 . . . . 6.0 110.555 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -57.45 -24.2 54.27 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.769 1.766 . . . . 6.0 115.769 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.162 1.785 . . . . 6.0 111.595 179.431 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 CA-C-O 121.307 0.393 . . . . 6.0 114.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 37.6 m -65.38 148.28 51.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 6.0 113.081 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -83.84 -3.63 58.03 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.592 1.33 . . . . 6.0 114.592 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.2 ttm -76.19 130.98 39.05 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.487 1.115 . . . . 6.0 111.895 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -112.27 -19.1 12.35 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.103 1.52 . . . . 6.0 115.103 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 58.4 m -133.85 115.95 15.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.99 1.316 . . . . 6.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 39.5 p -96.28 -24.6 16.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.206 1.402 . . . . 6.0 114.439 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -141.41 150.13 41.95 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.679 1.192 . . . . 6.0 112.363 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.03 158.95 42.75 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.711 1.605 . . . . 6.0 111.717 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -77.14 175.5 53.97 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.189 0.899 . . . . 6.0 113.685 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -87.52 122.18 30.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.751 1.221 . . . . 6.0 110.402 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -88.8 -164.97 40.83 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 126.108 1.814 . . . . 6.0 114.582 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.3 t -137.52 161.3 36.77 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.81 1.644 . . . . 6.0 110.006 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.36 -43.38 74.99 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.654 1.182 . . . . 6.0 112.515 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.14 -10.95 55.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.69 -168.37 13.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.135 1.826 . . . . 6.0 113.044 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -66.56 -27.16 67.52 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.809 0.844 . . . . 6.0 113.137 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.4 p -150.31 160.39 43.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.159 1.783 . . . . 6.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m -126.7 136.23 52.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.186 1.394 . . . . 6.0 109.927 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 81.92 160.17 25.97 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.53 158.59 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.846 2.058 . . . . 6.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -98.92 146.97 25.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.624 1.17 . . . . 6.0 112.84 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 21.5 mtt -70.93 -31.76 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.319 0.859 . . . . 6.0 113.319 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 -179.91 8.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.94 1.696 . . . . 6.0 111.682 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.45 145.55 51.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.875 1.67 . . . . 6.0 113.204 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 81.3 p -147.49 167.11 25.27 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.809 1.643 . . . . 6.0 112.035 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 31.5 m -62.4 139.18 58.56 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.446 1.098 . . . . 6.0 112.231 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.59 154.74 47.54 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.751 1.621 . . . . 6.0 111.284 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.49 149.75 70.31 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.262 1.425 . . . . 6.0 111.714 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 C-N-CA 123.549 2.833 . . . . 6.0 112.385 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 112.839 0.681 . . . . 6.0 112.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 27.2 p -78.52 -16.23 57.72 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.945 1.298 . . . . 6.0 114.218 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.25 -177.48 48.58 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 124.745 1.164 . . . . 6.0 114.785 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.26 163.81 36.96 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.944 3.096 . . . . 6.0 112.861 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 33.6 p -70.49 -22.12 62.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.587 1.155 . . . . 6.0 113.342 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.69 157.14 43.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.992 2.117 . . . . 6.0 109.904 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.94 151.87 86.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 121.442 -0.786 . . . . 6.0 112.744 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.39 -22.51 74.18 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.933 2.422 . . . . 6.0 112.968 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t -69.99 -17.65 63.29 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -96.83 116.95 30.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.804 1.241 . . . . 6.0 111.072 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -93.29 -4.81 51.07 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.917 1.287 . . . . 6.0 114.086 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.855 1.262 . . . . 6.0 112.024 178.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 CA-C-O 121.268 0.371 . . . . 6.0 113.674 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -59.51 -17.84 35.19 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.3 -7.25 59.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.608 1.563 . . . . 6.0 113.713 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.0 tpp -67.94 134.05 50.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.122 0.969 . . . . 6.0 112.289 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -9.79 12.65 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.329 1.603 . . . . 6.0 115.329 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.8 t -73.89 -25.83 60.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 6.0 112.822 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 29.9 p -82.52 -10.45 58.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.872 1.669 . . . . 6.0 114.183 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -73.29 137.18 44.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.504 1.122 . . . . 6.0 112.023 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.95 44.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.975 0.91 . . . . 6.0 111.958 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -66.26 139.65 38.19 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.662 0.649 . . . . 6.0 113.979 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -98.87 22.24 10.44 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.915 1.686 . . . . 6.0 112.589 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 83.47 -177.29 52.7 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.217 . . . . 6.0 113.258 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 33.2 p -139.25 166.88 23.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.198 1.799 . . . . 6.0 111.557 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -45.91 16.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.73 1.612 . . . . 6.0 113.706 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.56 -28.56 69.42 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 145.65 -162.41 28.26 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.279 1.419 . . . . 6.0 113.377 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.21 -34.43 56.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.252 1.021 . . . . 6.0 111.667 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 13.8 t -153.47 136.83 15.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.291 1.437 . . . . 6.0 110.773 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p -89.11 174.44 7.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.281 1.432 . . . . 6.0 112.782 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 75.62 147.75 1.9 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 35.2 m -90.4 158.56 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.652 1.581 . . . . 6.0 109.999 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 90.1 p -102.0 153.24 20.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.344 0.868 . . . . 6.0 113.344 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -114.3 153.51 29.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.688 1.595 . . . . 6.0 111.103 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 33.4 m -63.23 123.91 19.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.338 1.455 . . . . 6.0 112.872 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -142.73 155.36 44.86 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.14 1.776 . . . . 6.0 110.922 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 33.8 t -75.37 145.45 41.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.538 0.735 . . . . 6.0 112.321 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.2 p -87.36 -11.04 50.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.23 1.412 . . . . 6.0 113.055 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.5 0.98 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.826 1.651 . . . . 6.0 112.847 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.49 148.12 82.76 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.222 1.409 . . . . 6.0 112.488 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 C-N-CA 123.551 2.834 . . . . 6.0 112.485 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 112.805 0.669 . . . . 6.0 112.805 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -133.43 159.79 39.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.765 1.626 . . . . 6.0 112.092 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 77.84 179.5 50.01 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.443 1.021 . . . . 6.0 114.561 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.35 161.77 41.88 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.08 3.187 . . . . 6.0 113.117 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 38.7 p -76.4 -19.34 58.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.784 1.234 . . . . 6.0 113.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.02 160.87 39.55 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.22 1.808 . . . . 6.0 111.527 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.26 138.39 15.57 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.895 1.278 . . . . 6.0 111.114 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.6 -40.28 18.46 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.681 2.254 . . . . 6.0 113.935 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p -63.44 -19.41 64.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.26 -15.84 39.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.472 1.509 . . . . 6.0 114.355 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.78 -21.04 66.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.429 0.559 . . . . 6.0 111.812 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 127.707 2.403 . . . . 6.0 113.721 174.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 N-CA-C 114.828 0.691 . . . . 6.0 114.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.1 t -73.89 155.32 38.85 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.815 1.246 . . . . 6.0 112.838 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.86 -13.48 59.99 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.552 1.141 . . . . 6.0 112.649 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 98.2 mmm -116.05 142.21 47.1 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 6.0 111.592 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -87.67 -13.78 41.68 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.799 1.24 . . . . 6.0 114.23 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 85.9 p -152.13 166.95 30.07 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.209 1.403 . . . . 6.0 112.336 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.0 p -91.74 13.57 17.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.92 1.688 . . . . 6.0 113.567 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.39 149.19 48.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.82 1.248 . . . . 6.0 113.4 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.75 170.88 15.96 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.089 1.356 . . . . 6.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -73.1 -173.32 24.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.891 1.234 . . . . 6.0 114.474 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.42 158.36 44.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.82 1.648 . . . . 6.0 111.025 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.99 46.37 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.117 1.341 . . . . 6.0 114.798 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 34.8 p -72.66 -6.38 43.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.472 1.909 . . . . 6.0 113.594 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.15 -35.37 11.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.146 2.179 . . . . 6.0 113.691 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.52 -26.83 41.42 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 75.34 175.41 36.88 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.554 1.55 . . . . 6.0 114.589 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.27 -38.46 50.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.692 0.797 . . . . 6.0 111.782 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 53.8 m -79.1 112.8 16.67 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.454 1.102 . . . . 6.0 110.159 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p -137.45 173.21 11.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.641 1.576 . . . . 6.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 168.56 -110.54 0.39 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 20.7 m -32.93 124.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.369 2.268 . . . . 6.0 114.645 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.0 t -156.79 156.79 33.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.197 1.399 . . . . 6.0 111.667 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -92.71 -11.75 33.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.587 1.555 . . . . 6.0 112.865 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 45.4 m -70.23 152.49 44.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.775 1.23 . . . . 6.0 113.215 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -143.33 153.39 42.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.435 1.494 . . . . 6.0 110.987 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -74.02 155.26 38.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.569 1.148 . . . . 6.0 112.724 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 28.2 m -87.08 140.92 29.06 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.597 1.159 . . . . 6.0 111.079 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.07 45.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.091 1.356 . . . . 6.0 111.837 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.38 -40.37 19.73 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 115.818 1.784 . . . . 6.0 115.818 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo . . . . . 0 C--N 1.356 0.969 0 C-N-CA 123.44 2.76 . . . . 6.0 113.123 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.795 1.035 . . . . 6.0 113.795 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.4 m -65.9 138.65 58.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.366 1.466 . . . . 6.0 111.946 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.11 174.02 46.54 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.735 1.16 . . . . 6.0 113.496 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.74 160.06 47.12 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.915 3.076 . . . . 6.0 112.897 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.7 p -76.29 -22.39 55.11 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.578 1.151 . . . . 6.0 113.704 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.24 153.9 41.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.138 1.775 . . . . 6.0 111.096 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -150.34 140.57 14.05 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.537 1.135 . . . . 6.0 111.166 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -61.73 -20.88 70.69 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.339 2.693 . . . . 6.0 114.351 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p -59.85 -24.07 63.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -96.89 -6.42 35.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.704 1.602 . . . . 6.0 113.909 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.05 3.87 21.73 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 . . . . . 0 N--CA 1.478 0.975 0 C-N-CA 125.047 1.339 . . . . 6.0 112.247 179.059 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 121.351 0.417 . . . . 6.0 114.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.6 t -73.1 -24.66 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.122 0.969 . . . . 6.0 113.404 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -112.11 152.08 28.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.028 1.731 . . . . 6.0 111.451 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.14 145.92 47.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.877 0.871 . . . . 6.0 112.25 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -53.58 -27.11 24.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.627 1.571 . . . . 6.0 114.634 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 65.5 p -77.16 -9.34 58.7 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.558 1.543 . . . . 6.0 115.089 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 82.0 p -77.75 36.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.245 1.418 . . . . 6.0 114.427 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.66 149.95 46.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.847 1.259 . . . . 6.0 112.622 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.7 45.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.203 1.001 . . . . 6.0 112.338 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -85.73 -170.58 47.22 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.34 0.971 . . . . 6.0 113.51 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.92 137.49 39.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.155 1.382 . . . . 6.0 110.671 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -156.17 -138.6 2.58 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.24 1.876 . . . . 6.0 111.434 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.1 t -144.35 149.71 36.61 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.276 1.03 . . . . 6.0 110.826 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.62 -43.86 57.02 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.443 1.497 . . . . 6.0 112.665 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.84 -10.87 52.63 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.98 -175.46 16.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.203 1.383 . . . . 6.0 114.204 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.13 -44.28 76.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.787 0.835 . . . . 6.0 112.636 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.7 m -140.05 113.76 8.71 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.739 1.215 . . . . 6.0 110.835 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p -74.85 162.22 28.85 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.844 0.858 . . . . 6.0 112.926 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.73 147.69 15.33 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 15.2 m -107.04 130.8 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.197 1.799 . . . . 6.0 111.669 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 51.5 m -74.12 150.66 40.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.813 0.845 . . . . 6.0 112.263 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 82.3 mtp -82.2 -57.38 3.41 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.353 0.871 . . . . 6.0 113.353 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 66.9 m -149.53 163.92 36.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.728 1.611 . . . . 6.0 112.042 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -139.85 136.7 34.24 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.904 1.281 . . . . 6.0 110.655 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 45.3 m -80.34 160.35 25.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.5 1.12 . . . . 6.0 113.029 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 33.8 p -94.76 163.96 13.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.539 1.536 . . . . 6.0 111.374 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.48 156.81 46.7 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.697 1.199 . . . . 6.0 112.7 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.36 156.0 71.92 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.789 1.636 . . . . 6.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 123.901 3.067 . . . . 6.0 113.965 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.732 0.641 . . . . 6.0 112.732 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 36.7 p -77.56 -16.0 58.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.869 1.268 . . . . 6.0 113.796 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.2 176.91 47.31 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.629 1.585 . . . . 6.0 112.928 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.41 162.32 41.81 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.782 2.988 . . . . 6.0 112.577 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.3 p -70.88 -27.6 63.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.324 1.05 . . . . 6.0 113.227 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.31 150.35 31.36 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.318 1.847 . . . . 6.0 110.683 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.98 135.64 58.63 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 121.663 -0.648 . . . . 6.0 110.337 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.64 -31.42 94.3 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.324 2.683 . . . . 6.0 114.507 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.411 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m -72.49 -18.68 61.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.24 160.17 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.128 1.371 . . . . 6.0 113.226 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -76.41 -19.3 58.24 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.409 1.084 . . . . 6.0 113.749 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 126.712 2.005 . . . . 6.0 111.423 -179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 121.215 0.341 . . . . 6.0 113.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 16.5 t -70.91 135.63 48.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.672 0.789 . . . . 6.0 111.829 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -139.03 156.77 46.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.902 1.681 . . . . 6.0 111.614 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -129.82 150.98 50.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.481 1.512 . . . . 6.0 111.446 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -84.92 -9.16 58.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.862 1.265 . . . . 6.0 114.165 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 25.0 p -74.7 159.39 32.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.678 1.591 . . . . 6.0 113.511 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 41.9 p -79.1 166.87 21.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.307 1.443 . . . . 6.0 112.071 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.6 58.49 2.25 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.633 1.173 . . . . 6.0 111.543 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.52 -14.0 46.72 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.374 1.47 . . . . 6.0 114.661 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.14 -16.49 48.66 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.882 1.229 . . . . 6.0 113.638 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.33 -13.17 61.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.191 1.396 . . . . 6.0 112.847 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.57 -29.22 0.87 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.385 1.945 . . . . 6.0 116.79 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.8 t -149.51 147.42 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.201 1.5 . . . . 6.0 111.942 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.74 -31.1 70.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.809 1.643 . . . . 6.0 111.847 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.15 -10.05 31.69 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.96 174.05 50.13 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.768 1.651 . . . . 6.0 114.34 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -77.44 -26.6 51.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.092 0.957 . . . . 6.0 113.153 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 78.8 p -133.93 156.29 48.39 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.853 1.661 . . . . 6.0 112.527 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p -136.91 159.71 41.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.188 1.795 . . . . 6.0 111.535 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.63 -129.28 1.87 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.76 110.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.892 . . . . 6.0 112.429 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 19.4 t -167.06 164.69 15.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.692 1.997 . . . . 6.0 110.274 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -102.33 -12.05 18.22 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.393 1.477 . . . . 6.0 112.154 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 19.4 m -158.63 151.38 22.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.542 1.937 . . . . 6.0 110.952 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -77.91 -6.89 55.8 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 57.2 p -82.4 6.5 16.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.373 1.869 . . . . 6.0 115.43 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 23.7 p -69.16 -9.17 51.53 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.311 1.967 . . . . 6.0 116.311 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.89 152.36 51.67 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.304 1.042 . . . . 6.0 113.285 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -97.59 134.51 22.41 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.52 1.528 . . . . 6.0 110.54 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo . . . . . 0 C--N 1.353 0.781 0 C-N-CA 123.727 2.951 . . . . 6.0 114.129 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.2 p -85.83 -14.73 44.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.592 1.557 . . . . 6.0 114.088 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -68.78 144.6 42.13 Favored Glycine 0 CA--C 1.544 1.861 0 C-N-CA 124.252 0.93 . . . . 6.0 113.376 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.23 157.84 45.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.558 2.839 . . . . 6.0 112.971 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.0 t -73.37 -29.75 62.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.676 0.791 . . . . 6.0 112.865 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.52 36.38 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.413 1.885 . . . . 6.0 110.497 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -145.65 116.29 4.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.515 1.126 . . . . 6.0 112.086 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.01 -49.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.93 2.42 . . . . 6.0 114.555 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.408 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.6 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . 0.408 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p -70.25 -17.11 63.11 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.9 137.96 35.1 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.708 1.203 . . . . 6.0 112.037 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -58.29 -27.58 64.2 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.586 1.698 . . . . 6.0 115.586 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 126.443 1.897 . . . . 6.0 110.848 -179.041 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 CA-C-O 121.226 0.348 . . . . 6.0 113.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -58.51 -20.21 43.98 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.077 1.51 . . . . 6.0 115.077 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -84.34 -7.55 59.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.792 1.237 . . . . 6.0 114.054 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 60.1 ttm -59.54 142.53 52.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.709 1.204 . . . . 6.0 112.681 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.45 69.33 10.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.478 1.511 . . . . 6.0 109.205 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 51.1 m -65.99 137.09 56.88 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.501 1.52 . . . . 6.0 113.314 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 16.1 p -85.98 148.83 25.57 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.408 1.483 . . . . 6.0 111.563 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -121.07 -37.53 2.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.154 0.982 . . . . 6.0 113.195 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -157.4 152.99 26.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.576 1.55 . . . . 6.0 110.898 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 174.81 139.72 3.1 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.454 0.549 . . . . 6.0 113.588 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -147.07 147.98 31.17 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.094 1.758 . . . . 6.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -172.85 -141.84 3.6 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.126 0.87 . . . . 6.0 113.631 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 15.1 t -135.3 167.45 21.01 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.204 1.802 . . . . 6.0 110.567 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.39 -39.93 84.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.983 1.313 . . . . 6.0 113.01 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 2.9 tp -79.4 -5.72 55.27 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.98 163.69 35.95 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.334 1.921 . . . . 6.0 114.915 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.29 -42.68 99.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.486 1.114 . . . . 6.0 111.961 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.9 m -117.66 136.77 53.1 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.519 1.528 . . . . 6.0 110.829 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p -127.67 -167.47 1.75 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.018 1.727 . . . . 6.0 111.422 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.64 146.73 13.03 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 17.0 m -109.94 154.91 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 126.087 1.755 . . . . 6.0 112.858 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.4 p -149.11 148.19 29.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.367 1.867 . . . . 6.0 109.605 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -80.34 44.59 0.7 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.477 1.111 . . . . 6.0 113.5 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 21.4 t -159.69 153.45 22.9 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.428 1.491 . . . . 6.0 111.948 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -92.33 -6.84 49.43 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.72 1.208 . . . . 6.0 112.562 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 99.1 p -72.26 166.0 23.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.824 1.65 . . . . 6.0 114.451 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 32.9 p -132.34 154.54 49.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.328 1.851 . . . . 6.0 111.284 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.45 157.98 44.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.767 1.227 . . . . 6.0 112.445 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -149.08 135.9 10.59 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.385 1.474 . . . . 6.0 110.187 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--N 1.353 0.778 0 C-N-CA 123.436 2.757 . . . . 6.0 113.976 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.828 0.677 . . . . 6.0 112.828 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.2 p -77.26 -18.73 57.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.938 1.295 . . . . 6.0 114.165 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.72 178.92 44.41 Favored Glycine 0 CA--C 1.543 1.844 0 C-N-CA 124.878 1.228 . . . . 6.0 114.955 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.52 161.55 43.85 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 124.144 3.23 . . . . 6.0 113.203 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 14.0 t -69.55 -24.25 63.69 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.269 1.028 . . . . 6.0 113.239 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.82 149.11 46.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.539 1.936 . . . . 6.0 110.456 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.3 143.13 93.26 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 121.623 -0.673 . . . . 6.0 112.549 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.9 -22.86 55.46 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.087 2.525 . . . . 6.0 114.612 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' B' ' 454' ' ' GLY . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m -77.05 -33.66 57.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -152.91 118.77 5.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.008 1.323 . . . . 6.0 110.783 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -2.7 17.98 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.777 1.769 . . . . 6.0 115.777 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 . . . . . 0 N--CA 1.48 1.062 0 C-N-CA 126.593 1.957 . . . . 6.0 111.727 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 N-CA-C 114.012 0.365 . . . . 6.0 114.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.8 m -77.52 54.38 1.17 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.942 1.697 . . . . 6.0 113.228 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -70.73 157.01 38.78 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.247 1.419 . . . . 6.0 112.886 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 96.9 mtp -70.68 148.0 48.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 6.0 112.028 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -116.68 14.48 15.38 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.593 1.557 . . . . 6.0 114.214 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 24.3 m -60.23 136.82 58.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.819 1.248 . . . . 6.0 112.881 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.5 p -93.21 -16.6 24.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.042 1.337 . . . . 6.0 114.573 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.3 141.49 41.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.094 0.958 . . . . 6.0 112.24 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.51 161.64 42.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.624 1.57 . . . . 6.0 111.806 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -177.66 159.39 25.29 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.499 1.047 . . . . 6.0 113.386 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.03 147.66 27.4 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.39 1.476 . . . . 6.0 110.766 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.15 30.68 60.57 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.287 0.946 . . . . 6.0 114.004 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 77.8 p -74.25 -3.44 30.01 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.599 1.559 . . . . 6.0 114.468 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.27 1.13 3.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -27.3 25.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.416 ' O ' ' HE3' ' A' ' 419' ' ' LYS . . . 74.56 153.68 3.44 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.252 1.406 . . . . 6.0 114.606 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -71.39 -22.75 61.83 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 20.4 m -81.07 48.51 1.12 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.848 1.659 . . . . 6.0 114.071 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p -69.95 145.32 51.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.03 0.932 . . . . 6.0 112.883 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 170.58 -138.38 4.94 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.1 p -52.44 117.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.696 1.198 . . . . 6.0 113.303 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 18.1 t -166.18 -161.71 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.434 2.293 . . . . 6.0 108.441 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.33 -32.7 64.91 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.186 1.395 . . . . 6.0 112.502 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 46.6 m -77.91 72.01 4.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.37 1.468 . . . . 6.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -57.36 -26.28 60.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.297 1.439 . . . . 6.0 113.706 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 43.8 p -72.07 -16.26 62.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.017 1.327 . . . . 6.0 113.704 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 75.5 p -130.92 38.13 3.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.449 1.9 . . . . 6.0 111.329 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.81 15.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.091 1.885 . . . . 6.0 116.091 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.17 148.28 40.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.836 1.654 . . . . 6.0 112.143 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 C-N-CA 123.393 2.728 . . . . 6.0 112.361 179.578 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.651 0.982 . . . . 6.0 113.651 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.8 p -85.88 -14.05 46.06 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.631 1.572 . . . . 6.0 114.052 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.03 169.56 53.7 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.621 1.105 . . . . 6.0 114.436 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.27 162.32 42.87 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.905 3.07 . . . . 6.0 112.685 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.2 p -72.02 -22.1 61.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.5 1.12 . . . . 6.0 113.513 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -146.85 150.7 35.79 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.064 1.746 . . . . 6.0 111.357 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.31 135.68 61.39 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.607 0.763 . . . . 6.0 110.272 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -63.14 -42.86 21.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.728 2.285 . . . . 6.0 114.253 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . 0.419 ' HZ3' ' HB2' ' B' ' 447' ' ' GLU . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . 0.41 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m -66.25 -19.59 65.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -85.47 90.02 7.85 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.229 1.012 . . . . 6.0 111.483 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -76.07 -4.4 41.19 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.991 1.317 . . . . 6.0 114.392 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 127.406 2.282 . . . . 6.0 113.613 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 N-CA-C 114.745 0.658 . . . . 6.0 114.745 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 22.7 m -68.28 -8.38 39.03 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.51 1.524 . . . . 6.0 114.8 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -69.1 -21.27 64.06 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.973 1.309 . . . . 6.0 113.569 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.33 159.32 42.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.511 1.524 . . . . 6.0 112.891 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -150.13 102.57 3.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.969 1.708 . . . . 6.0 109.59 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 66.9 m -93.89 161.54 14.27 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.984 1.313 . . . . 6.0 111.77 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 35.4 m -124.18 144.72 49.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.108 1.363 . . . . 6.0 111.976 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.21 155.23 46.61 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.383 2.273 . . . . 6.0 110.028 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -145.17 143.28 30.24 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.206 0.817 . . . . 6.0 113.206 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -105.91 -174.74 23.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.947 1.737 . . . . 6.0 113.093 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.2 138.53 40.28 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.585 1.554 . . . . 6.0 110.391 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 160.79 -151.24 21.65 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.769 1.176 . . . . 6.0 112.723 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.0 t -136.42 150.15 48.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.542 1.537 . . . . 6.0 110.669 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 5.19 23.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.598 1.559 . . . . 6.0 114.788 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.419 ' HB2' ' HZ3' ' A' ' 365' ' ' LYS . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.42 -11.09 59.17 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 93.12 -166.74 28.68 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.834 1.207 . . . . 6.0 114.219 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.04 -31.7 70.68 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 9.6 t -151.81 151.1 30.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.491 1.116 . . . . 6.0 111.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p -112.92 -170.74 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.801 2.041 . . . . 6.0 112.343 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 160.31 -122.09 1.09 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.18 97.1 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.124 0.97 . . . . 6.0 110.777 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.7 t -151.44 163.55 38.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.0 1.72 . . . . 6.0 111.654 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 26.2 mmt -74.32 -15.63 60.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.374 1.07 . . . . 6.0 112.39 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.6 m -112.97 144.66 42.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.772 1.629 . . . . 6.0 111.789 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -153.06 163.66 39.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.026 1.33 . . . . 6.0 112.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 86.2 p -81.27 166.2 20.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.216 -0.927 . . . . 6.0 111.793 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 7.9 p -68.05 -9.95 49.94 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.107 -0.996 . . . . 6.0 113.237 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.6 -0.31 56.23 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.616 1.567 . . . . 6.0 113.064 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -131.96 155.76 80.96 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.492 1.517 . . . . 6.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.352 0.723 0 C-N-CA 123.617 2.878 . . . . 6.0 112.979 179.044 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.936 0 N-CA-C 113.71 1.004 . . . . 6.0 113.71 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.8 t -150.47 163.25 38.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.868 1.667 . . . . 6.0 111.894 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 76.91 -173.81 54.61 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.742 1.163 . . . . 6.0 114.751 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.59 164.69 34.44 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.189 3.26 . . . . 6.0 113.286 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.2 p -72.59 -29.36 63.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.303 1.041 . . . . 6.0 112.195 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -79.37 144.19 34.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.71 1.204 . . . . 6.0 111.584 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.31 143.48 16.95 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.852 1.261 . . . . 6.0 110.331 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.19 -36.14 96.1 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.699 2.266 . . . . 6.0 113.46 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t -74.33 -33.49 63.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -150.94 123.54 8.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.484 1.114 . . . . 6.0 112.153 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -87.9 -9.76 52.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 6.0 114.173 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 6.0 112.493 -179.514 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 114.788 0.675 . . . . 6.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 32.5 m -76.97 -11.14 59.76 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.09 1.356 . . . . 6.0 114.285 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.39 150.9 36.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.864 1.666 . . . . 6.0 111.344 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -131.05 121.96 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.609 1.564 . . . . 6.0 109.715 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.22 -27.57 61.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.244 1.018 . . . . 6.0 113.388 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.6 t -149.37 166.59 28.58 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.898 1.679 . . . . 6.0 111.381 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 48.5 m -125.74 135.03 51.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.783 1.633 . . . . 6.0 110.432 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -71.53 -32.76 68.53 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.369 0.877 . . . . 6.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.9 152.78 23.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.533 1.133 . . . . 6.0 112.23 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.87 54.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.297 0.951 . . . . 6.0 114.214 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.53 -25.12 59.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.941 0.896 . . . . 6.0 113.128 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 65.67 -160.38 44.44 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.367 1.46 . . . . 6.0 114.782 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.3 t -156.04 164.0 38.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.54 1.536 . . . . 6.0 111.037 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.01 -36.5 77.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.19 1.396 . . . . 6.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.35 -13.5 62.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 100.46 -165.33 19.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.546 1.546 . . . . 6.0 113.98 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -64.77 -29.99 70.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.23 1.012 . . . . 6.0 113.67 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 83.3 p -150.33 149.93 30.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.07 1.348 . . . . 6.0 111.987 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m -116.62 136.37 53.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.552 1.541 . . . . 6.0 109.882 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 84.29 146.7 7.74 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.06 168.47 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 126.604 1.962 . . . . 6.0 111.521 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -122.34 155.66 35.52 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.273 1.212 . . . . 6.0 114.273 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 23.6 mmt -131.1 11.45 5.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.73 2.012 . . . . 6.0 112.104 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 15.7 t -65.24 140.31 58.71 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.057 0.943 . . . . 6.0 112.428 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.56 149.16 50.6 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.027 1.731 . . . . 6.0 111.206 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 31.8 p -81.84 156.48 24.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.0 1.32 . . . . 6.0 113.009 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 24.8 m -101.03 144.42 29.98 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.827 1.251 . . . . 6.0 110.618 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.76 -11.84 61.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.093 1.516 . . . . 6.0 115.093 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -146.08 159.59 45.68 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.183 1.793 . . . . 6.0 111.578 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 CA--C 1.539 0.748 0 C-N-CA 123.73 2.953 . . . . 6.0 113.876 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.838 1.051 . . . . 6.0 113.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.5 p -78.55 157.12 28.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.447 1.499 . . . . 6.0 113.032 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.55 48.42 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.835 1.207 . . . . 6.0 113.24 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.56 155.18 63.82 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.706 2.937 . . . . 6.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.0 p -79.25 -23.23 43.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.461 1.104 . . . . 6.0 113.828 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.79 164.59 35.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.852 1.661 . . . . 6.0 111.85 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.77 146.88 52.14 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.382 1.473 . . . . 6.0 110.634 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.63 -44.09 23.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.949 2.432 . . . . 6.0 113.89 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p -71.28 -12.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -103.04 -46.81 4.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.094 1.357 . . . . 6.0 112.02 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -73.03 -29.36 62.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.984 1.105 . . . . 6.0 113.984 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 127.408 2.283 . . . . 6.0 114.171 174.593 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 N-CA-C 114.817 0.687 . . . . 6.0 114.817 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 25.6 m -72.05 141.91 49.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.374 1.47 . . . . 6.0 113.065 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -155.82 168.44 27.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.679 1.592 . . . . 6.0 111.406 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.11 139.18 52.47 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.363 0.665 . . . . 6.0 110.978 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -137.28 85.97 2.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.083 1.753 . . . . 6.0 110.746 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 37.8 m -73.89 158.09 35.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.798 1.239 . . . . 6.0 112.957 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.9 t -147.09 159.66 43.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.057 1.343 . . . . 6.0 111.046 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -75.93 164.4 26.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.389 1.076 . . . . 6.0 113.583 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.14 25.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.546 1.139 . . . . 6.0 113.568 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 54.68 -131.79 47.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.781 1.181 . . . . 6.0 113.743 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -0.14 46.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.639 1.176 . . . . 6.0 113.526 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -78.82 -6.26 88.55 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.253 1.406 . . . . 6.0 114.763 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 18.5 p -46.39 -43.62 16.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.454 1.502 . . . . 6.0 113.164 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.34 -35.94 78.8 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.055 1.742 . . . . 6.0 114.176 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.3 -24.38 67.27 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 126.99 -167.95 19.29 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 126.426 1.965 . . . . 6.0 112.596 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -71.98 -18.51 61.98 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.184 0.809 . . . . 6.0 113.184 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.6 p -151.7 165.41 34.47 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.228 1.811 . . . . 6.0 111.736 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p -128.65 156.02 44.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.076 1.75 . . . . 6.0 111.218 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.46 -131.87 2.48 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 106.64 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 122.285 1.041 . . . . 6.0 113.106 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 95.7 p -165.61 176.36 8.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.85 2.06 . . . . 6.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -82.2 12.25 4.51 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.232 1.013 . . . . 6.0 113.494 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 8.6 t -65.6 150.39 48.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.564 1.145 . . . . 6.0 112.578 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -76.3 151.17 36.8 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.217 1.007 . . . . 6.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 67.7 p -73.81 162.63 28.92 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.817 1.247 . . . . 6.0 112.606 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -148.16 156.79 43.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.787 1.235 . . . . 6.0 111.796 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.37 44.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.703 1.601 . . . . 6.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -146.02 158.13 49.12 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.188 1.395 . . . . 6.0 112.038 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--N 1.353 0.765 0 C-N-CA 123.819 3.013 . . . . 6.0 113.038 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.775 1.028 . . . . 6.0 113.775 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.0 m -78.32 69.12 4.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.803 1.641 . . . . 6.0 111.026 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.48 54.85 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.24 0.924 . . . . 6.0 113.945 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 155.46 68.82 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.137 2.558 . . . . 6.0 111.628 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.93 -45.32 74.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.512 0.725 . . . . 6.0 112.375 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -159.26 97.06 1.34 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.573 1.549 . . . . 6.0 110.547 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -148.35 125.01 5.42 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 123.76 0.824 . . . . 6.0 112.438 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -82.59 -25.57 2.99 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.835 3.023 . . . . 6.0 114.128 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.418 HE22 ' HG2' ' A' ' 431' ' ' PRO . 29.0 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . 0.418 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m 0.61 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.25 -34.16 63.78 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.581 1.552 . . . . 6.0 112.532 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -74.94 -9.19 58.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 126.805 2.042 . . . . 6.0 110.513 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 114.757 0.663 . . . . 6.0 114.757 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 84.8 p -60.79 -26.68 67.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 6.0 114.214 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -81.22 -9.66 59.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.027 1.331 . . . . 6.0 113.651 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.78 -18.45 65.38 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.043 -1.035 . . . . 6.0 113.33 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -57.11 -23.14 44.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.386 1.474 . . . . 6.0 113.959 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 48.2 m -78.16 -12.77 60.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.981 1.312 . . . . 6.0 113.45 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 22.3 p -84.6 146.9 27.27 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.421 1.088 . . . . 6.0 110.824 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -141.28 160.93 39.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.185 . . . . 6.0 113.103 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.81 172.98 12.25 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.22 1.808 . . . . 6.0 111.931 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 105.61 -1.59 39.4 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.313 1.435 . . . . 6.0 113.661 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 151.82 39.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.533 2.333 . . . . 6.0 109.074 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.88 -27.08 0.77 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.699 1.142 . . . . 6.0 115.248 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.7 p -61.33 -50.91 71.03 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.352 1.461 . . . . 6.0 112.178 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.81 -40.52 69.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.103 0.961 . . . . 6.0 112.036 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -7.97 54.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 81.51 172.17 46.45 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.437 1.494 . . . . 6.0 114.427 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.41 -41.58 93.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.833 0.853 . . . . 6.0 112.663 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 14.6 m -138.67 152.07 47.74 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.173 1.389 . . . . 6.0 112.424 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p -130.82 157.28 43.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.905 1.682 . . . . 6.0 111.62 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.19 -124.49 1.22 Allowed Glycine 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 2.3 p -55.41 124.36 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.979 0.912 . . . . 6.0 111.813 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 42.7 t -158.33 157.52 32.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.771 2.028 . . . . 6.0 110.93 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 45.7 ttm -94.77 -2.88 50.13 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.187 1.395 . . . . 6.0 112.947 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 67.8 m -75.47 65.99 1.8 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.921 1.288 . . . . 6.0 112.607 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -143.95 164.75 29.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.321 1.848 . . . . 6.0 112.01 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 26.9 t -76.08 155.81 34.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.67 0.788 . . . . 6.0 111.703 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 56.2 p -118.93 3.88 11.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.079 1.752 . . . . 6.0 113.248 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.73 155.7 40.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.471 1.108 . . . . 6.0 113.206 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.76 150.02 68.72 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.591 1.557 . . . . 6.0 111.356 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.351 0.688 0 C-N-CA 123.469 2.779 . . . . 6.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.751 1.019 . . . . 6.0 113.751 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.9 t -148.26 173.3 13.16 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.718 1.607 . . . . 6.0 111.924 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.52 162.27 47.67 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.721 1.153 . . . . 6.0 114.41 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.74 152.11 63.99 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.697 2.932 . . . . 6.0 112.935 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 t -68.95 -30.04 68.4 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.563 0.579 . . . . 6.0 112.563 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -114.07 129.15 56.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.655 1.582 . . . . 6.0 111.129 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -159.33 161.79 26.85 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.129 1.772 . . . . 6.0 110.377 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.93 -27.24 79.68 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.58 2.187 . . . . 6.0 114.655 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m -65.45 -32.14 73.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -158.67 110.65 2.21 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.371 1.468 . . . . 6.0 110.665 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.7 -16.17 60.76 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 126.19 1.796 . . . . 6.0 111.538 -179.311 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 114.041 0.376 . . . . 6.0 114.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 24.3 m -66.2 154.6 39.36 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.681 1.192 . . . . 6.0 112.766 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -71.2 14.26 0.17 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.799 1.778 . . . . 6.0 115.799 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 28.0 ptm -79.4 6.06 11.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.172 1.789 . . . . 6.0 114.625 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.22 -16.68 62.51 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 47.0 m -63.61 139.28 58.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.492 1.117 . . . . 6.0 112.934 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 37.9 p -140.87 160.04 40.92 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.764 1.626 . . . . 6.0 111.926 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -76.37 153.87 35.41 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.052 0.941 . . . . 6.0 112.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.17 60.64 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 69.34 16.36 71.24 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.86 1.219 . . . . 6.0 115.422 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -80.75 113.83 19.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.551 1.176 . . . . 6.0 110.786 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -74.36 -16.93 79.7 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.743 1.163 . . . . 6.0 115.338 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.6 t -156.74 156.66 33.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.607 1.563 . . . . 6.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.09 -34.15 76.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.856 1.262 . . . . 6.0 112.008 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt -68.02 -16.87 64.23 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 85.49 -173.08 47.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.142 1.354 . . . . 6.0 113.56 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -76.58 -16.09 59.68 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.231 1.196 . . . . 6.0 114.231 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 51.4 m -121.26 152.67 38.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.299 1.44 . . . . 6.0 113.097 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p -143.04 179.15 7.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.996 2.118 . . . . 6.0 110.199 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . -171.3 -128.39 1.03 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.67 102.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.13 1.372 . . . . 6.0 113.516 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 33.5 t -165.06 156.06 14.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.189 2.196 . . . . 6.0 109.734 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 41.7 ttm -148.19 39.25 0.91 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.365 1.466 . . . . 6.0 110.573 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 97.8 p -132.78 167.75 19.59 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.517 1.302 . . . . 6.0 114.517 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -138.8 170.92 15.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.723 2.009 . . . . 6.0 110.574 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 24.3 t -64.65 153.32 39.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.202 1.001 . . . . 6.0 112.905 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.8 p -74.4 -26.19 59.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.905 1.282 . . . . 6.0 111.814 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.99 161.58 26.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.077 1.351 . . . . 6.0 112.719 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.17 135.38 76.56 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.873 0.869 . . . . 6.0 111.515 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo . . . . . 0 C--N 1.353 0.78 0 C-N-CA 123.79 2.994 . . . . 6.0 114.118 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.843 0.683 . . . . 6.0 112.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 9.8 m -73.21 -30.15 63.3 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.598 1.159 . . . . 6.0 112.804 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.96 172.62 54.12 Favored Glycine 0 CA--C 1.544 1.85 0 C-N-CA 124.649 1.119 . . . . 6.0 114.616 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -69.86 164.25 35.35 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.021 3.147 . . . . 6.0 112.837 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -68.25 -21.9 64.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.587 1.155 . . . . 6.0 113.327 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.22 140.93 32.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.625 1.97 . . . . 6.0 109.845 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 132.51 91.06 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 121.484 -0.76 . . . . 6.0 111.572 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -64.26 -34.47 55.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.186 2.59 . . . . 6.0 114.31 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m -84.26 2.57 39.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -143.01 172.83 12.17 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.216 2.206 . . . . 6.0 111.287 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -4.02 6.68 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.089 2.255 . . . . 6.0 117.089 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 126.963 2.105 . . . . 6.0 110.303 178.113 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 CA-C-O 121.297 0.387 . . . . 6.0 114.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 21.3 m -65.25 144.59 57.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.475 1.11 . . . . 6.0 112.752 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -149.24 168.68 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.098 1.359 . . . . 6.0 112.208 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 63.4 ttp -70.1 140.39 52.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 6.0 110.854 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -82.14 -25.32 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 18.4 m -71.8 159.85 33.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.578 1.551 . . . . 6.0 112.5 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.3 t -140.38 168.5 19.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.934 1.294 . . . . 6.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -137.75 154.44 49.61 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.432 1.893 . . . . 6.0 111.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.84 148.09 26.47 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.235 1.014 . . . . 6.0 112.37 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 166.04 177.52 38.21 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.472 1.034 . . . . 6.0 113.593 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -135.18 113.46 11.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.046 1.338 . . . . 6.0 111.216 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.64 163.49 51.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.547 1.07 . . . . 6.0 113.078 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 30.9 p -141.44 157.62 44.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.904 2.082 . . . . 6.0 112.485 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.41 -32.89 74.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.181 0.993 . . . . 6.0 109.835 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.07 -9.18 36.6 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.68 -176.95 21.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.077 1.798 . . . . 6.0 113.017 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -73.69 -22.69 59.85 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.219 1.008 . . . . 6.0 112.732 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 50.5 m -135.11 160.7 37.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.937 1.695 . . . . 6.0 111.899 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p -133.43 175.65 9.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.163 1.385 . . . . 6.0 111.833 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.59 -133.29 2.88 Favored Glycine 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 10.7 p -57.16 141.03 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.576 1.15 . . . . 6.0 112.557 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 11.9 t -150.3 174.49 12.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.524 1.53 . . . . 6.0 111.076 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 6.9 tpt -50.25 -56.54 10.7 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.676 1.59 . . . . 6.0 111.746 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.3 m -91.89 119.38 31.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.886 0.874 . . . . 6.0 111.196 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -153.46 162.68 41.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.293 1.437 . . . . 6.0 111.374 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 41.8 m -73.49 139.38 45.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.837 0.855 . . . . 6.0 112.734 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -157.27 173.92 16.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.932 1.693 . . . . 6.0 110.536 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.97 10.02 35.17 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.328 1.603 . . . . 6.0 115.328 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -134.23 146.74 60.88 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.052 1.341 . . . . 6.0 112.925 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 C-N-CA 123.019 2.48 . . . . 6.0 112.733 -178.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 112.83 0.678 . . . . 6.0 112.83 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.4 p -78.95 158.8 27.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.98 1.312 . . . . 6.0 112.748 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.55 175.02 46.82 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.546 1.069 . . . . 6.0 113.592 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.81 160.71 47.17 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.029 3.153 . . . . 6.0 113.137 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.4 p -77.05 -17.77 58.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.944 1.298 . . . . 6.0 113.712 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.53 160.98 38.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.1 1.76 . . . . 6.0 111.89 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -137.17 132.62 18.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.364 1.465 . . . . 6.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.63 -34.32 42.06 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.609 2.873 . . . . 6.0 114.628 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p -62.37 -25.32 67.86 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.5 121.59 24.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.056 0.942 . . . . 6.0 111.377 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -76.07 -17.47 59.62 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.478 1.111 . . . . 6.0 113.46 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 125.212 1.405 . . . . 6.0 111.878 178.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.39 0 N-CA-C 114.701 0.641 . . . . 6.0 114.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 69.1 p -61.05 -20.22 62.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.252 1.421 . . . . 6.0 114.041 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -71.56 -15.64 62.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.713 1.605 . . . . 6.0 113.313 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 72.7 mtm -81.07 61.62 4.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.949 1.3 . . . . 6.0 111.041 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -3.86 21.13 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 82.3 p -151.81 163.23 39.63 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.057 1.743 . . . . 6.0 111.473 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 10.4 t -156.64 165.4 36.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.963 1.305 . . . . 6.0 110.971 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.48 179.13 7.3 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.956 1.303 . . . . 6.0 112.516 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.45 -16.02 59.39 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.056 1.873 . . . . 6.0 116.056 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.53 141.23 5.39 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.022 1.296 . . . . 6.0 112.727 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.24 169.23 22.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.927 1.691 . . . . 6.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -72.35 60.57 1.51 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.787 1.66 . . . . 6.0 114.545 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 45.7 p -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.116 0.967 . . . . 6.0 113.031 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.46 -47.59 15.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.134 0.973 . . . . 6.0 110.304 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.9 -10.46 42.45 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.44 -175.29 53.55 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.114 1.34 . . . . 6.0 113.998 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.47 -44.8 70.46 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.749 -0.853 . . . . 6.0 113.093 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 73.5 m -141.81 135.37 29.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.38 1.472 . . . . 6.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.89 162.01 16.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.111 1.364 . . . . 6.0 111.797 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.76 150.21 8.89 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 22.7 m -96.21 154.66 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.435 1.894 . . . . 6.0 111.988 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -91.94 79.71 5.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.92 0.888 . . . . 6.0 112.257 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -114.79 129.4 56.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.53 1.532 . . . . 6.0 109.564 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 28.2 t -70.78 109.71 5.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.924 0.89 . . . . 6.0 112.586 -177.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -77.62 148.39 35.12 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.198 0.999 . . . . 6.0 111.614 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 97.6 p -156.41 -179.23 7.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.559 1.544 . . . . 6.0 111.781 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.2 t -127.95 146.53 50.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.095 1.358 . . . . 6.0 111.599 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.77 163.03 33.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.576 1.55 . . . . 6.0 112.683 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.79 156.0 78.92 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.708 1.603 . . . . 6.0 111.479 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.902 3.068 . . . . 6.0 114.024 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.968 0 N-CA-C 113.862 1.06 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 38.5 p -82.22 158.67 23.46 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.586 1.555 . . . . 6.0 112.866 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -169.78 54.23 Favored Glycine 0 CA--C 1.543 1.829 0 C-N-CA 124.197 0.903 . . . . 6.0 114.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.88 164.74 34.71 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.779 2.986 . . . . 6.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.6 p -67.6 -25.33 65.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.238 1.015 . . . . 6.0 113.147 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.17 153.72 36.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.104 1.762 . . . . 6.0 111.244 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.12 154.85 88.49 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 122.966 0.506 . . . . 6.0 110.946 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -60.92 -31.66 91.75 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.544 2.163 . . . . 6.0 114.31 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.514 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . 0.514 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m -77.78 -7.31 56.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.44 143.64 53.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.131 0.972 . . . . 6.0 112.148 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -68.9 -14.91 63.32 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.864 1.266 . . . . 6.0 111.867 -179.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.552 0 N-CA-C 114.749 0.66 . . . . 6.0 114.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 6.7 t -65.58 151.64 45.97 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.908 1.283 . . . . 6.0 113.193 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -88.07 139.66 30.28 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.277 1.431 . . . . 6.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 64.3 mtt -123.35 -65.45 1.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.027 1.331 . . . . 6.0 109.377 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -120.91 -21.43 6.56 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.468 1.907 . . . . 6.0 111.592 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 76.3 p -153.69 166.67 32.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 129.189 2.996 . . . . 6.0 108.899 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 26.4 m -99.7 135.14 41.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.176 0.99 . . . . 6.0 110.333 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.32 142.97 32.56 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.421 1.088 . . . . 6.0 112.707 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.25 169.09 23.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.622 1.569 . . . . 6.0 111.617 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.43 -179.51 40.31 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.283 0.944 . . . . 6.0 113.871 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.6 -15.28 62.25 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.949 1.092 . . . . 6.0 113.949 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.0 21.7 0.05 OUTLIER Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.459 1.028 . . . . 6.0 114.992 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 13.8 p -64.68 -17.69 64.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.297 1.439 . . . . 6.0 113.523 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.29 -16.45 53.99 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.58 1.552 . . . . 6.0 114.024 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.9 -26.91 40.04 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.47 11.27 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.346 1.451 . . . . 6.0 114.838 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.39 -25.17 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.14 0.976 . . . . 6.0 113.441 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 48.9 m -80.27 61.39 4.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.277 1.431 . . . . 6.0 112.202 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p -70.81 166.34 21.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.762 1.225 . . . . 6.0 113.879 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.34 150.26 8.48 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.36 161.8 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.925 2.09 . . . . 6.0 111.318 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 70.5 m -68.5 117.22 9.97 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.289 -0.882 . . . . 6.0 109.903 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 17.5 mmt -72.72 -8.44 55.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.534 0.938 . . . . 6.0 113.534 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.7 m -132.43 155.28 48.78 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 128.042 2.537 . . . . 6.0 108.628 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -61.18 134.74 57.34 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.471 -0.768 . . . . 6.0 111.927 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -139.88 26.53 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.704 1.201 . . . . 6.0 113.558 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 41.6 p -71.46 -17.66 62.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.143 1.377 . . . . 6.0 114.569 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.81 166.5 26.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.666 1.586 . . . . 6.0 111.953 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.73 151.0 61.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.505 1.522 . . . . 6.0 111.798 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 C-N-CA 123.31 2.674 . . . . 6.0 112.458 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 112.765 0.654 . . . . 6.0 112.765 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -150.01 161.52 42.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.178 1.391 . . . . 6.0 111.787 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.05 172.59 44.77 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 125.088 1.327 . . . . 6.0 113.388 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.75 164.36 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.862 3.041 . . . . 6.0 112.891 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.9 p -71.33 -22.34 61.94 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.9 1.28 . . . . 6.0 113.694 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -152.43 166.56 31.55 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.34 2.256 . . . . 6.0 109.645 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.16 131.63 92.04 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 121.444 -0.785 . . . . 6.0 113.059 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.38 -30.58 19.15 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.624 2.883 . . . . 6.0 114.435 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.401 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.1 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . 0.401 ' HG2' HE22 ' A' ' 354' ' ' GLN . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t -61.8 -28.07 69.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.57 113.42 25.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.653 1.181 . . . . 6.0 111.103 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -87.43 -16.88 33.58 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.937 1.088 . . . . 6.0 113.937 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.681 1.592 . . . . 6.0 111.519 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.083 0.393 . . . . 6.0 114.083 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 8.7 t -148.66 160.37 43.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.245 1.418 . . . . 6.0 111.652 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -76.56 166.72 23.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.884 1.274 . . . . 6.0 112.846 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 52.2 ttm -76.89 72.03 3.45 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.877 1.271 . . . . 6.0 112.702 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.04 -33.86 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.663 1.185 . . . . 6.0 111.574 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 49.6 m -146.63 157.88 43.8 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.907 2.483 . . . . 6.0 109.432 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 9.5 t -148.29 148.07 30.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.434 0.902 . . . . 6.0 113.434 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -80.92 -11.86 59.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.84 1.256 . . . . 6.0 112.234 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.43 3.43 28.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.216 1.406 . . . . 6.0 114.132 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.95 145.08 17.99 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.619 1.581 . . . . 6.0 112.63 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -147.67 162.76 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.737 1.615 . . . . 6.0 111.624 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 95.99 126.84 5.17 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.759 1.647 . . . . 6.0 111.896 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 6.7 t -150.89 41.49 0.76 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.016 1.389 . . . . 6.0 111.992 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.49 -36.7 64.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.061 1.344 . . . . 6.0 113.186 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.27 -8.03 57.89 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 77.76 -171.78 55.15 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.421 1.01 . . . . 6.0 113.118 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.01 -34.61 78.11 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.855 1.057 . . . . 6.0 113.855 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 7.2 t -156.46 167.3 30.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.521 1.129 . . . . 6.0 112.751 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p -137.26 157.58 46.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.252 2.221 . . . . 6.0 110.435 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 83.41 145.61 6.34 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 27.5 m -83.22 166.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.985 1.714 . . . . 6.0 111.027 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -57.57 119.65 6.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.452 -0.78 . . . . 6.0 112.54 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 36.5 ttm -151.05 -36.86 0.13 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.345 1.458 . . . . 6.0 113.239 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 59.5 p -147.14 174.84 11.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.579 1.551 . . . . 6.0 112.311 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -58.7 -30.68 67.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.867 -1.146 . . . . 6.0 112.342 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 18.0 m -62.35 -27.43 69.05 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.725 1.21 . . . . 6.0 112.965 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 44.3 p -92.34 -20.92 20.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.987 1.315 . . . . 6.0 112.959 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.87 -34.48 13.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.854 1.261 . . . . 6.0 113.901 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.11 129.88 52.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.049 1.34 . . . . 6.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 C-N-CA 123.165 2.577 . . . . 6.0 112.372 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.849 0.685 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.0 m -65.79 138.7 58.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.858 1.263 . . . . 6.0 111.935 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.76 170.22 51.57 Favored Glycine 0 CA--C 1.545 1.91 0 C-N-CA 124.357 0.98 . . . . 6.0 114.737 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.66 162.29 42.59 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.044 3.163 . . . . 6.0 112.956 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -72.71 -25.41 61.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.534 1.133 . . . . 6.0 113.545 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.56 24.9 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.931 1.693 . . . . 6.0 110.447 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.2 132.71 69.71 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 123.653 0.781 . . . . 6.0 112.452 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.66 -33.75 27.13 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.28 2.654 . . . . 6.0 114.363 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . 0.454 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m -75.1 -5.28 43.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.1 168.27 13.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.364 1.866 . . . . 6.0 112.513 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.99 -4.78 40.29 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.668 1.587 . . . . 6.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 114.781 0.673 . . . . 6.0 114.781 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.3 t -75.66 155.73 35.49 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.667 1.187 . . . . 6.0 112.62 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 155.1 41.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.829 1.252 . . . . 6.0 113.058 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 65.3 mtt -120.68 139.94 52.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.138 1.375 . . . . 6.0 110.725 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -97.57 -0.98 44.89 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.635 1.346 . . . . 6.0 114.635 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 19.5 m -79.42 44.25 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.07 1.748 . . . . 6.0 113.442 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 13.6 t -151.62 162.07 41.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.759 1.623 . . . . 6.0 111.59 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -146.35 154.04 41.21 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.239 1.415 . . . . 6.0 112.523 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -149.55 163.05 38.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.706 1.602 . . . . 6.0 111.616 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -67.25 140.63 37.84 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.862 0.744 . . . . 6.0 113.017 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.71 -8.22 26.49 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.279 1.215 . . . . 6.0 114.279 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 69.58 -151.23 50.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.109 0.861 . . . . 6.0 113.161 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 66.5 p -132.86 161.31 34.52 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.575 1.95 . . . . 6.0 109.978 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.68 -39.45 94.0 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.613 -0.679 . . . . 6.0 111.497 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.12 -38.28 61.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 71.19 -172.08 45.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.668 1.128 . . . . 6.0 114.062 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -90.25 -16.61 29.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.251 1.02 . . . . 6.0 113.459 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 19.9 m -80.14 45.28 0.73 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.568 1.547 . . . . 6.0 113.841 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p -77.82 172.81 12.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.609 1.564 . . . . 6.0 112.8 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 463' ' ' THR . . . . . 0.454 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 159.57 -129.72 2.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.26 101.89 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.266 1.026 . . . . 6.0 111.39 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 38.1 t -153.88 152.13 30.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.424 1.089 . . . . 6.0 112.315 -177.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.13 1.53 18.87 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.842 1.657 . . . . 6.0 111.597 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.1 m -93.91 165.48 12.65 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.156 1.782 . . . . 6.0 111.417 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -68.14 141.73 55.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.456 -0.778 . . . . 6.0 112.145 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 10.1 t -151.71 158.0 42.79 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.363 1.465 . . . . 6.0 110.936 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 38.7 m -133.17 137.86 46.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.1 1.36 . . . . 6.0 111.534 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.6 157.6 43.75 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.626 1.57 . . . . 6.0 111.61 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.68 132.27 72.33 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.895 0.878 . . . . 6.0 111.257 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.258 2.639 . . . . 6.0 112.494 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.855 1.059 . . . . 6.0 114.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 383' ' ' HIS . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 383' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' A' ' 359' ' ' LEU . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.734 0.272 . . . . 6.0 111.734 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.048 0.451 . . . . 6.0 111.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.544 0.999 0 N-CA-C 116.071 1.527 . . . . 6.0 116.071 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.477 HD22 ' C ' ' B' ' 434' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 452' ' ' LEU 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.008 -0.367 . . . . 6.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.535 0.545 0 N-CA-C 114.622 0.97 . . . . 6.0 114.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 383' ' ' HIS . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 383' ' ' HIS . . . . . 0.45 ' HB3' HD11 ' B' ' 476' ' ' LEU . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 395' ' ' THR . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.524 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.825 0.676 . . . . 6.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' LEU . . . . . 0.441 HD23 ' H ' ' B' ' 441' ' ' LEU . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.524 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.873 0.368 . . . . 6.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 476' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 383' ' ' HIS . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 CA--C 1.53 0.322 0 N-CA-C 114.016 0.737 . . . . 6.0 114.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.408 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 452' ' ' LEU . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.515 0.561 . . . . 6.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.927 -0.397 . . . . 6.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 CA--C 1.536 0.618 0 N-CA-C 112.968 0.334 . . . . 6.0 112.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.464 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.557 ' O ' HD12 ' B' ' 434' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.464 HD23 HG22 ' A' ' 395' ' ' THR 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.782 0.66 . . . . 6.0 112.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.534 0.491 0 N-CA-C 113.935 0.706 . . . . 6.0 113.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.563 ' HE3' HD11 ' B' ' 452' ' ' LEU . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.489 HD23 HD21 ' B' ' 438' ' ' LEU . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.691 0.997 . . . . 6.0 113.691 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 432' ' ' LEU . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.563 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 453' ' ' LEU . . . . . 0.49 ' N ' HD13 ' B' ' 452' ' ' LEU . 3.2 tp . . . . . 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.699 0.285 . . . . 6.0 111.603 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.648 0 N-CA-C 114.351 0.866 . . . . 6.0 114.351 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 358' ' ' VAL 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 358' ' ' VAL . . . . . 0.442 ' N ' HD22 ' A' ' 357' ' ' LEU . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 364' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 391' ' ' LEU . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 364' ' ' HIS . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 121.61 0.719 . . . . 6.0 112.665 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.469 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.431 HD22 ' O ' ' B' ' 452' ' ' LEU 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.926 0.713 . . . . 6.0 112.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 353' ' ' ILE . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.607 0 N-CA-C 114.507 0.926 . . . . 6.0 114.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' GLN . . . . . 0.427 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.444 HD21 ' CZ3' ' A' ' 418' ' ' TRP . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 357' ' ' LEU . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 111.847 0.314 . . . . 6.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.19 0.519 . . . . 6.0 111.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 353' ' ' ILE . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 N-CA-C 114.555 0.944 . . . . 6.0 114.555 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.486 HD12 ' HB3' ' B' ' 465' ' ' LEU . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 383' ' ' HIS . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 364' ' ' HIS . . . . . 0.446 ' CE1' HD22 ' A' ' 391' ' ' LEU . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 383' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 359' ' ' LEU . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 364' ' ' HIS . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.464 ' HE3' HD11 ' B' ' 452' ' ' LEU . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ILE . . . . . 0.423 HG23 HD11 ' B' ' 449' ' ' LEU . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 449' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 415' ' ' ILE . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.467 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 453' ' ' LEU . . . . . 0.467 ' N ' HD13 ' B' ' 452' ' ' LEU . 2.9 tp . . . . . 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.46 0.171 . . . . 6.0 111.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 353' ' ' ILE . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 CA--C 1.533 0.454 0 N-CA-C 114.612 0.966 . . . . 6.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 364' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 364' ' ' HIS . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 112.883 0.697 . . . . 6.0 112.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 CA--C 1.534 0.519 0 N-CA-C 114.253 0.828 . . . . 6.0 114.253 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.445 ' HE3' HD11 ' B' ' 452' ' ' LEU . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 400' ' ' GLY . . . . . 0.496 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.496 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 114.788 1.403 . . . . 6.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.343 0.498 . . . . 6.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.536 0.6 0 N-CA-C 113.46 0.523 . . . . 6.0 113.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 383' ' ' HIS . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' HIS . . . . . 0.441 ' HB2' HD11 ' A' ' 359' ' ' LEU . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.548 HG22 HD12 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.327 0.492 . . . . 6.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 395' ' ' THR 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.882 -0.414 . . . . 6.0 109.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 465' ' ' LEU . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 113.89 0.688 . . . . 6.0 113.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' B' ' 470' ' ' ASN . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 432' ' ' LEU . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.457 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 461' ' ' VAL . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.457 HD23 HG22 ' A' ' 395' ' ' THR 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 111.218 0.081 . . . . 6.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 461' ' ' VAL . . . . . 0.406 ' HA ' ' HE3' ' A' ' 401' ' ' LYS . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 470' ' ' ASN . . . . . 0.407 ' CG ' HD23 ' A' ' 352' ' ' LEU . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 114.128 0.78 . . . . 6.0 114.128 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 366' ' ' CYS . . . . . 0.422 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 369' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.036 0.384 . . . . 6.0 112.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.813 0.339 . . . . 6.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 114.655 0.983 . . . . 6.0 114.655 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.427 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' A' ' 357' ' ' LEU . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ILE . . . . . 0.457 HG23 HD11 ' B' ' 449' ' ' LEU . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 357' ' ' LEU . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.008 0.373 . . . . 6.0 112.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 449' ' ' LEU . . . . . 0.457 HD11 HG23 ' A' ' 415' ' ' ILE . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.199 -0.297 . . . . 6.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' A' ' 353' ' ' ILE . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.432 ' HE1' HD11 ' B' ' 452' ' ' LEU . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 109.835 -0.431 . . . . 6.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.77 0.319 . . . . 6.0 111.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 353' ' ' ILE . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.534 0.493 0 N-CA-C 114.628 0.972 . . . . 6.0 114.628 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.443 HH12 ' HB2' ' B' ' 466' ' ' ALA . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.459 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.432 HG22 HD23 ' B' ' 452' ' ' LEU . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.492 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.664 0.269 . . . . 6.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.543 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 453' ' ' LEU . . . . . 0.543 ' N ' HD13 ' B' ' 452' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 111.797 0.295 . . . . 6.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 466' ' ' ALA . . . . . 0.443 ' HB2' HH12 ' A' ' 350' ' ' ARG . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.532 0.415 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 364' ' ' HIS . . . . . 0.518 ' CE1' HD22 ' A' ' 391' ' ' LEU . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 364' ' ' HIS . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.45 HG22 HD13 ' B' ' 452' ' ' LEU . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ASP . . . . . 0.629 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 114.024 1.12 . . . . 6.0 114.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 395' ' ' THR . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.536 0.622 0 N-CA-C 114.435 0.898 . . . . 6.0 114.435 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 362' ' ' HIS . . . . . 0.407 ' HB2' HD21 ' B' ' 441' ' ' LEU . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' MET . . . . . 0.488 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 395' ' ' THR . . . . . 0.489 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' ILE . . . . . 0.454 HG13 HD21 ' B' ' 465' ' ' LEU . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.186 0.81 . . . . 6.0 113.186 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 441' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 362' ' ' HIS . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 453' ' ' LEU . . . . . 0.54 ' N ' HD13 ' B' ' 452' ' ' LEU . 5.1 tp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.435 -0.209 . . . . 6.0 110.435 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 465' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 414' ' ' ILE . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.536 0.587 0 N-CA-C 114.363 0.87 . . . . 6.0 114.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 364' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 366' ' ' CYS . . . . . 0.425 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 369' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.485 HD22 ' CE1' ' A' ' 364' ' ' HIS . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ILE . . . . . 0.463 HG23 HD11 ' B' ' 449' ' ' LEU . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.588 0.232 . . . . 6.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 443' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 449' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 415' ' ' ILE . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 112.8 0.667 . . . . 6.0 112.8 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 463' ' ' THR . . . . . 0.457 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 113.824 1.046 . . . . 6.0 113.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -132.91 156.95 46.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.378 1.871 . . . . 6.0 112.23 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.15 164.69 54.74 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 124.12 0.867 . . . . 6.0 114.181 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.63 163.31 38.87 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.982 3.121 . . . . 6.0 112.842 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.7 p -73.6 -21.97 60.17 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.654 1.181 . . . . 6.0 113.58 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.68 155.8 43.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.478 1.911 . . . . 6.0 110.864 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.78 138.63 14.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.389 1.075 . . . . 6.0 111.335 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.18 -21.02 72.21 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.496 2.798 . . . . 6.0 114.855 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 383' ' ' HIS . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' A' ' 359' ' ' LEU . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t -61.01 -29.13 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -89.33 113.52 24.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.481 1.113 . . . . 6.0 110.483 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -90.09 -0.38 57.57 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 124.556 1.143 . . . . 6.0 112.153 179.64 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 N-CA-C 114.667 0.627 . . . . 6.0 114.667 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 52.2 p -68.87 -35.61 77.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.716 1.258 . . . . 6.0 113.135 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -145.19 149.03 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.105 1.762 . . . . 6.0 111.17 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -153.4 147.71 25.86 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.417 1.487 . . . . 6.0 111.293 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -80.29 -46.15 16.67 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 6.0 112.131 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 21.5 t -161.53 151.1 16.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.801 1.64 . . . . 6.0 110.986 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 28.5 m -101.04 86.85 3.13 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.135 1.374 . . . . 6.0 108.639 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -144.12 151.78 40.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 6.0 112.247 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 161.64 23.92 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.856 1.262 . . . . 6.0 112.742 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -163.9 -174.18 33.42 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.974 0.797 . . . . 6.0 114.78 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -122.29 147.43 46.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.027 1.731 . . . . 6.0 110.315 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.01 2.14 57.55 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.303 1.43 . . . . 6.0 115.713 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 38.9 p -69.44 -43.64 72.89 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.018 1.409 . . . . 6.0 112.646 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.81 -38.09 67.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.252 1.021 . . . . 6.0 111.734 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.59 -14.94 58.48 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.23 172.2 47.39 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.882 1.23 . . . . 6.0 114.002 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.16 -21.46 58.76 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.236 1.198 . . . . 6.0 114.236 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 56.4 m -125.3 142.02 51.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.3 1.44 . . . . 6.0 112.332 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p -132.97 173.82 11.0 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.418 1.887 . . . . 6.0 111.309 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 179.63 -138.41 3.44 Favored Glycine 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -40.95 119.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.161 1.784 . . . . 6.0 115.118 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.6 p -177.88 -176.05 0.54 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.278 2.631 . . . . 6.0 109.622 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 68.1 mtp -82.92 -23.68 33.41 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.396 -0.815 . . . . 6.0 112.242 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 25.5 p -157.41 126.57 5.89 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.658 1.983 . . . . 6.0 109.956 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -144.47 150.53 37.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.329 1.051 . . . . 6.0 113.433 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 16.4 m -75.82 -27.15 57.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.517 1.127 . . . . 6.0 113.998 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.6 t -155.79 174.5 15.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.38 1.072 . . . . 6.0 112.617 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.46 113.67 11.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.31 1.844 . . . . 6.0 109.55 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.76 147.12 99.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.555 1.142 . . . . 6.0 113.426 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.351 0.685 0 C-N-CA 123.675 2.916 . . . . 6.0 112.594 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -133.67 157.86 44.72 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.405 1.882 . . . . 6.0 112.205 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.66 163.22 54.8 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.109 0.861 . . . . 6.0 114.157 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.12 158.13 55.76 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.891 3.061 . . . . 6.0 113.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 41.6 p -81.55 -15.77 53.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.985 1.314 . . . . 6.0 113.84 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.46 15.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.163 1.785 . . . . 6.0 112.139 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -138.57 154.03 72.97 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 125.172 1.389 . . . . 6.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -87.66 -32.22 0.18 Allowed 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 123.005 2.47 . . . . 6.0 116.071 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m -66.55 -13.94 61.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.96 143.97 31.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.289 1.836 . . . . 6.0 109.903 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.29 -15.06 62.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 126.526 1.931 . . . . 6.0 111.631 179.233 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 114.928 0.731 . . . . 6.0 114.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 48.6 m -67.55 150.2 49.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.14 1.376 . . . . 6.0 113.228 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.1 156.57 38.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.373 1.069 . . . . 6.0 111.987 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.34 139.84 58.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.859 0.863 . . . . 6.0 111.23 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -88.22 -15.66 35.35 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.021 1.489 . . . . 6.0 115.021 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 45.2 m -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.567 1.547 . . . . 6.0 112.08 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 24.0 m -60.2 131.81 51.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.862 1.265 . . . . 6.0 110.939 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.51 156.77 26.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.778 0.831 . . . . 6.0 112.767 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 165.02 25.89 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.613 1.165 . . . . 6.0 113.582 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.2 -174.23 30.75 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.849 1.214 . . . . 6.0 114.67 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -78.08 -3.4 42.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.483 1.66 . . . . 6.0 115.483 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.93 80.23 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 121.11 -0.994 . . . . 6.0 114.348 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.9 t -145.5 152.18 39.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.927 2.091 . . . . 6.0 109.711 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.477 HD22 ' C ' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -70.58 -18.76 62.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 -179.441 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 452' ' ' LEU 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.08 -18.69 63.66 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 98.83 -168.73 22.65 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.967 1.27 . . . . 6.0 114.104 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -75.82 -20.12 58.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.329 1.052 . . . . 6.0 113.814 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 69.5 m -131.46 168.63 17.3 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.994 1.718 . . . . 6.0 111.941 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p -146.51 177.57 8.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.649 1.979 . . . . 6.0 110.008 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 80.92 156.05 13.48 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.65 159.7 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.86 2.064 . . . . 6.0 112.508 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 50.1 m -79.88 140.81 36.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.196 0.598 . . . . 6.0 110.542 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 30.2 tpp -71.7 148.23 46.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.727 -0.608 . . . . 6.0 111.361 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.2 m -53.64 138.2 35.33 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.082 1.353 . . . . 6.0 114.505 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -145.53 154.43 42.19 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.566 1.546 . . . . 6.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 17.6 m -78.93 45.12 0.59 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.061 1.744 . . . . 6.0 114.059 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 21.7 m -64.68 123.31 18.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.475 1.11 . . . . 6.0 110.99 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.7 -24.42 38.85 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.034 1.494 . . . . 6.0 115.034 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -90.44 137.02 27.66 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.63 1.172 . . . . 6.0 111.364 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.433 . . . . 6.0 111.671 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.638 0.977 . . . . 6.0 113.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 39.7 p -76.05 -20.06 58.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.261 1.425 . . . . 6.0 113.795 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -176.51 74.59 0.08 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.82 1.2 . . . . 6.0 112.932 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.58 154.09 56.75 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.928 3.085 . . . . 6.0 114.163 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.3 p -74.87 -25.21 58.81 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.366 1.066 . . . . 6.0 113.08 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -151.43 161.67 42.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.968 2.107 . . . . 6.0 110.269 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -140.4 149.77 58.73 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.403 1.081 . . . . 6.0 111.997 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.35 -25.45 49.16 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.204 2.603 . . . . 6.0 114.622 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 383' ' ' HIS . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' HIS . . . . . 0.45 ' HB3' HD11 ' B' ' 476' ' ' LEU . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 395' ' ' THR . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.524 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m -63.85 -13.96 49.15 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.38 146.75 37.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 6.0 111.599 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.26 18.9 21.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.285 1.434 . . . . 6.0 113.207 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 . . . . . 0 N--CA 1.481 1.078 0 C-N-CA 125.128 1.371 . . . . 6.0 112.277 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.322 0 N-CA-C 113.862 0.305 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.4 t -155.94 156.12 33.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.467 1.107 . . . . 6.0 112.475 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -75.05 118.89 18.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.099 1.36 . . . . 6.0 110.862 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 26.1 mmt -134.97 135.24 41.29 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.201 1.401 . . . . 6.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.53 -1.47 22.97 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.284 1.433 . . . . 6.0 114.429 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 42.6 m -85.48 156.35 20.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.29 1.436 . . . . 6.0 112.923 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 18.2 m -66.82 135.67 54.27 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.225 1.01 . . . . 6.0 111.788 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -139.24 122.23 16.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.394 1.077 . . . . 6.0 113.015 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.15 59.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.258 1.207 . . . . 6.0 114.258 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.05 -128.54 30.47 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.029 1.299 . . . . 6.0 113.083 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -127.04 12.03 7.13 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.057 1.743 . . . . 6.0 111.88 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -95.38 -161.38 33.77 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.603 1.573 . . . . 6.0 115.715 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 12.6 t -154.57 171.87 18.75 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.338 2.255 . . . . 6.0 109.534 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.61 -40.93 84.68 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.846 -1.159 . . . . 6.0 112.825 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' B' ' 440' ' ' HIS . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' B' ' 437' ' ' ALA . 54.7 m-70 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 441' ' ' LEU . . . . . 0.441 HD23 ' H ' ' B' ' 441' ' ' LEU . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.524 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.8 -17.39 64.6 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.64 -166.72 12.18 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.319 1.914 . . . . 6.0 113.072 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.46 -24.18 64.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.97 0.908 . . . . 6.0 113.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 165.62 29.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.082 1.753 . . . . 6.0 111.947 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p -121.6 171.53 8.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.931 1.692 . . . . 6.0 111.619 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 476' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 383' ' ' HIS . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 101.84 135.28 8.77 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 8.2 m -100.34 165.64 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.974 2.11 . . . . 6.0 111.265 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 54.2 m -102.23 157.46 16.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.827 0.851 . . . . 6.0 112.89 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -114.97 138.59 50.66 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.585 1.554 . . . . 6.0 108.897 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 12.1 t -105.02 134.17 48.58 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.498 1.119 . . . . 6.0 112.569 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -141.06 144.54 35.01 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.366 1.466 . . . . 6.0 110.694 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 19.5 m -57.63 -25.0 59.48 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.291 1.219 . . . . 6.0 114.291 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 25.1 p -65.5 -19.47 65.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.383 1.473 . . . . 6.0 113.638 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -83.51 -10.43 58.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.397 1.079 . . . . 6.0 113.474 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.44 143.7 27.15 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.149 1.38 . . . . 6.0 112.619 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 CA--C 1.537 0.669 0 C-N-CA 123.459 2.773 . . . . 6.0 112.396 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.769 1.025 . . . . 6.0 113.769 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 32.3 p -132.18 151.01 52.02 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.186 1.794 . . . . 6.0 112.2 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.13 168.08 54.84 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 124.228 0.918 . . . . 6.0 114.67 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.91 166.18 28.64 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.313 3.342 . . . . 6.0 113.269 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.5 t -64.18 -27.47 69.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.243 1.017 . . . . 6.0 113.139 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.72 146.46 36.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.247 1.819 . . . . 6.0 110.132 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.08 131.2 93.32 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 123.484 0.714 . . . . 6.0 112.37 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.04 -40.93 14.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.153 2.569 . . . . 6.0 114.016 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.408 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 452' ' ' LEU . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p -69.54 -12.6 61.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -122.62 155.11 37.01 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.498 2.319 . . . . 6.0 110.555 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -57.45 -24.2 54.27 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.769 1.766 . . . . 6.0 115.769 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.162 1.785 . . . . 6.0 111.595 179.431 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 CA-C-O 121.307 0.393 . . . . 6.0 114.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 37.6 m -65.38 148.28 51.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 6.0 113.081 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -83.84 -3.63 58.03 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.592 1.33 . . . . 6.0 114.592 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.2 ttm -76.19 130.98 39.05 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.487 1.115 . . . . 6.0 111.895 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -112.27 -19.1 12.35 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.103 1.52 . . . . 6.0 115.103 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 58.4 m -133.85 115.95 15.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.99 1.316 . . . . 6.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 39.5 p -96.28 -24.6 16.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.206 1.402 . . . . 6.0 114.439 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -141.41 150.13 41.95 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.679 1.192 . . . . 6.0 112.363 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.03 158.95 42.75 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.711 1.605 . . . . 6.0 111.717 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -77.14 175.5 53.97 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.189 0.899 . . . . 6.0 113.685 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -87.52 122.18 30.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.751 1.221 . . . . 6.0 110.402 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -88.8 -164.97 40.83 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 126.108 1.814 . . . . 6.0 114.582 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.3 t -137.52 161.3 36.77 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.81 1.644 . . . . 6.0 110.006 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.36 -43.38 74.99 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.654 1.182 . . . . 6.0 112.515 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.14 -10.95 55.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.69 -168.37 13.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.135 1.826 . . . . 6.0 113.044 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -66.56 -27.16 67.52 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.809 0.844 . . . . 6.0 113.137 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.4 p -150.31 160.39 43.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.159 1.783 . . . . 6.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m -126.7 136.23 52.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.186 1.394 . . . . 6.0 109.927 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 81.92 160.17 25.97 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.53 158.59 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.846 2.058 . . . . 6.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -98.92 146.97 25.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.624 1.17 . . . . 6.0 112.84 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 21.5 mtt -70.93 -31.76 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.319 0.859 . . . . 6.0 113.319 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 -179.91 8.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.94 1.696 . . . . 6.0 111.682 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.45 145.55 51.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.875 1.67 . . . . 6.0 113.204 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 81.3 p -147.49 167.11 25.27 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.809 1.643 . . . . 6.0 112.035 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 31.5 m -62.4 139.18 58.56 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.446 1.098 . . . . 6.0 112.231 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.59 154.74 47.54 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.751 1.621 . . . . 6.0 111.284 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.49 149.75 70.31 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.262 1.425 . . . . 6.0 111.714 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 C-N-CA 123.549 2.833 . . . . 6.0 112.385 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 112.839 0.681 . . . . 6.0 112.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 27.2 p -78.52 -16.23 57.72 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.945 1.298 . . . . 6.0 114.218 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.25 -177.48 48.58 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 124.745 1.164 . . . . 6.0 114.785 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.26 163.81 36.96 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.944 3.096 . . . . 6.0 112.861 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 33.6 p -70.49 -22.12 62.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.587 1.155 . . . . 6.0 113.342 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.69 157.14 43.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.992 2.117 . . . . 6.0 109.904 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.94 151.87 86.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 121.442 -0.786 . . . . 6.0 112.744 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.39 -22.51 74.18 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.933 2.422 . . . . 6.0 112.968 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.464 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t -69.99 -17.65 63.29 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -96.83 116.95 30.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.804 1.241 . . . . 6.0 111.072 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -93.29 -4.81 51.07 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.917 1.287 . . . . 6.0 114.086 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.855 1.262 . . . . 6.0 112.024 178.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 CA-C-O 121.268 0.371 . . . . 6.0 113.674 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -59.51 -17.84 35.19 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.3 -7.25 59.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.608 1.563 . . . . 6.0 113.713 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.0 tpp -67.94 134.05 50.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.122 0.969 . . . . 6.0 112.289 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -9.79 12.65 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.329 1.603 . . . . 6.0 115.329 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.8 t -73.89 -25.83 60.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 6.0 112.822 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 29.9 p -82.52 -10.45 58.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.872 1.669 . . . . 6.0 114.183 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -73.29 137.18 44.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.504 1.122 . . . . 6.0 112.023 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.95 44.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.975 0.91 . . . . 6.0 111.958 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -66.26 139.65 38.19 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.662 0.649 . . . . 6.0 113.979 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -98.87 22.24 10.44 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.915 1.686 . . . . 6.0 112.589 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 83.47 -177.29 52.7 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.217 . . . . 6.0 113.258 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 33.2 p -139.25 166.88 23.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.198 1.799 . . . . 6.0 111.557 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.557 ' O ' HD12 ' B' ' 434' ' ' LEU . 0.1 OUTLIER -46.0 -45.91 16.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.73 1.612 . . . . 6.0 113.706 -178.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.464 HD23 HG22 ' A' ' 395' ' ' THR 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.56 -28.56 69.42 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 145.65 -162.41 28.26 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.279 1.419 . . . . 6.0 113.377 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.21 -34.43 56.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.252 1.021 . . . . 6.0 111.667 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 13.8 t -153.47 136.83 15.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.291 1.437 . . . . 6.0 110.773 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p -89.11 174.44 7.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.281 1.432 . . . . 6.0 112.782 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 75.62 147.75 1.9 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 35.2 m -90.4 158.56 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.652 1.581 . . . . 6.0 109.999 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 90.1 p -102.0 153.24 20.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.344 0.868 . . . . 6.0 113.344 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -114.3 153.51 29.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.688 1.595 . . . . 6.0 111.103 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 33.4 m -63.23 123.91 19.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.338 1.455 . . . . 6.0 112.872 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -142.73 155.36 44.86 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.14 1.776 . . . . 6.0 110.922 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 33.8 t -75.37 145.45 41.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.538 0.735 . . . . 6.0 112.321 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.2 p -87.36 -11.04 50.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.23 1.412 . . . . 6.0 113.055 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.5 0.98 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.826 1.651 . . . . 6.0 112.847 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.49 148.12 82.76 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.222 1.409 . . . . 6.0 112.488 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 C-N-CA 123.551 2.834 . . . . 6.0 112.485 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 112.805 0.669 . . . . 6.0 112.805 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -133.43 159.79 39.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.765 1.626 . . . . 6.0 112.092 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 77.84 179.5 50.01 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.443 1.021 . . . . 6.0 114.561 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.35 161.77 41.88 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.08 3.187 . . . . 6.0 113.117 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 38.7 p -76.4 -19.34 58.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.784 1.234 . . . . 6.0 113.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.02 160.87 39.55 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.22 1.808 . . . . 6.0 111.527 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.26 138.39 15.57 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.895 1.278 . . . . 6.0 111.114 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.6 -40.28 18.46 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.681 2.254 . . . . 6.0 113.935 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.563 ' HE3' HD11 ' B' ' 452' ' ' LEU . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.489 HD23 HD21 ' B' ' 438' ' ' LEU . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p -63.44 -19.41 64.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.26 -15.84 39.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.472 1.509 . . . . 6.0 114.355 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.78 -21.04 66.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.429 0.559 . . . . 6.0 111.812 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 127.707 2.403 . . . . 6.0 113.721 174.921 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 N-CA-C 114.828 0.691 . . . . 6.0 114.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.1 t -73.89 155.32 38.85 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.815 1.246 . . . . 6.0 112.838 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.86 -13.48 59.99 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.552 1.141 . . . . 6.0 112.649 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 98.2 mmm -116.05 142.21 47.1 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 6.0 111.592 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -87.67 -13.78 41.68 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.799 1.24 . . . . 6.0 114.23 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 85.9 p -152.13 166.95 30.07 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.209 1.403 . . . . 6.0 112.336 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.0 p -91.74 13.57 17.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.92 1.688 . . . . 6.0 113.567 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.39 149.19 48.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.82 1.248 . . . . 6.0 113.4 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.75 170.88 15.96 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.089 1.356 . . . . 6.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -73.1 -173.32 24.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.891 1.234 . . . . 6.0 114.474 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.42 158.36 44.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.82 1.648 . . . . 6.0 111.025 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.99 46.37 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.117 1.341 . . . . 6.0 114.798 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 34.8 p -72.66 -6.38 43.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.472 1.909 . . . . 6.0 113.594 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.15 -35.37 11.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.146 2.179 . . . . 6.0 113.691 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 432' ' ' LEU . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.563 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 453' ' ' LEU . . . . . 0.49 ' N ' HD13 ' B' ' 452' ' ' LEU . 3.2 tp -79.52 -26.83 41.42 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 75.34 175.41 36.88 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.554 1.55 . . . . 6.0 114.589 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.27 -38.46 50.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.692 0.797 . . . . 6.0 111.782 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 53.8 m -79.1 112.8 16.67 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.454 1.102 . . . . 6.0 110.159 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p -137.45 173.21 11.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.641 1.576 . . . . 6.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 168.56 -110.54 0.39 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 20.7 m -32.93 124.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.369 2.268 . . . . 6.0 114.645 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.0 t -156.79 156.79 33.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.197 1.399 . . . . 6.0 111.667 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -92.71 -11.75 33.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.587 1.555 . . . . 6.0 112.865 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 45.4 m -70.23 152.49 44.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.775 1.23 . . . . 6.0 113.215 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -143.33 153.39 42.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.435 1.494 . . . . 6.0 110.987 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -74.02 155.26 38.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.569 1.148 . . . . 6.0 112.724 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 28.2 m -87.08 140.92 29.06 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.597 1.159 . . . . 6.0 111.079 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.07 45.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.091 1.356 . . . . 6.0 111.837 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.38 -40.37 19.73 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 115.818 1.784 . . . . 6.0 115.818 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo . . . . . 0 C--N 1.356 0.969 0 C-N-CA 123.44 2.76 . . . . 6.0 113.123 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.795 1.035 . . . . 6.0 113.795 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.4 m -65.9 138.65 58.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.366 1.466 . . . . 6.0 111.946 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.11 174.02 46.54 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.735 1.16 . . . . 6.0 113.496 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.74 160.06 47.12 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.915 3.076 . . . . 6.0 112.897 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.7 p -76.29 -22.39 55.11 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.578 1.151 . . . . 6.0 113.704 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.24 153.9 41.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.138 1.775 . . . . 6.0 111.096 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -150.34 140.57 14.05 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.537 1.135 . . . . 6.0 111.166 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -61.73 -20.88 70.69 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.339 2.693 . . . . 6.0 114.351 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 358' ' ' VAL 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 358' ' ' VAL . . . . . 0.442 ' N ' HD22 ' A' ' 357' ' ' LEU . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 391' ' ' LEU . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 364' ' ' HIS . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p -59.85 -24.07 63.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -96.89 -6.42 35.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.704 1.602 . . . . 6.0 113.909 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.05 3.87 21.73 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 . . . . . 0 N--CA 1.478 0.975 0 C-N-CA 125.047 1.339 . . . . 6.0 112.247 179.059 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 121.351 0.417 . . . . 6.0 114.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.6 t -73.1 -24.66 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.122 0.969 . . . . 6.0 113.404 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -112.11 152.08 28.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.028 1.731 . . . . 6.0 111.451 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.14 145.92 47.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.877 0.871 . . . . 6.0 112.25 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -53.58 -27.11 24.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.627 1.571 . . . . 6.0 114.634 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 65.5 p -77.16 -9.34 58.7 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.558 1.543 . . . . 6.0 115.089 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 82.0 p -77.75 36.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.245 1.418 . . . . 6.0 114.427 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.66 149.95 46.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.847 1.259 . . . . 6.0 112.622 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.7 45.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.203 1.001 . . . . 6.0 112.338 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -85.73 -170.58 47.22 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.34 0.971 . . . . 6.0 113.51 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.92 137.49 39.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.155 1.382 . . . . 6.0 110.671 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -156.17 -138.6 2.58 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.24 1.876 . . . . 6.0 111.434 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.1 t -144.35 149.71 36.61 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.276 1.03 . . . . 6.0 110.826 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.62 -43.86 57.02 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.443 1.497 . . . . 6.0 112.665 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.469 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.431 HD22 ' O ' ' B' ' 452' ' ' LEU 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.84 -10.87 52.63 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.98 -175.46 16.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.203 1.383 . . . . 6.0 114.204 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.13 -44.28 76.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.787 0.835 . . . . 6.0 112.636 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.7 m -140.05 113.76 8.71 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.739 1.215 . . . . 6.0 110.835 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p -74.85 162.22 28.85 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.844 0.858 . . . . 6.0 112.926 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 353' ' ' ILE . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.73 147.69 15.33 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 15.2 m -107.04 130.8 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.197 1.799 . . . . 6.0 111.669 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 51.5 m -74.12 150.66 40.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.813 0.845 . . . . 6.0 112.263 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 82.3 mtp -82.2 -57.38 3.41 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.353 0.871 . . . . 6.0 113.353 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 66.9 m -149.53 163.92 36.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.728 1.611 . . . . 6.0 112.042 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -139.85 136.7 34.24 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.904 1.281 . . . . 6.0 110.655 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 45.3 m -80.34 160.35 25.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.5 1.12 . . . . 6.0 113.029 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 33.8 p -94.76 163.96 13.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.539 1.536 . . . . 6.0 111.374 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.48 156.81 46.7 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.697 1.199 . . . . 6.0 112.7 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.36 156.0 71.92 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.789 1.636 . . . . 6.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 123.901 3.067 . . . . 6.0 113.965 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.732 0.641 . . . . 6.0 112.732 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 36.7 p -77.56 -16.0 58.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.869 1.268 . . . . 6.0 113.796 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.2 176.91 47.31 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.629 1.585 . . . . 6.0 112.928 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.41 162.32 41.81 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.782 2.988 . . . . 6.0 112.577 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.3 p -70.88 -27.6 63.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.324 1.05 . . . . 6.0 113.227 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.31 150.35 31.36 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.318 1.847 . . . . 6.0 110.683 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.98 135.64 58.63 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 121.663 -0.648 . . . . 6.0 110.337 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.64 -31.42 94.3 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.324 2.683 . . . . 6.0 114.507 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.427 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.444 HD21 ' CZ3' ' A' ' 418' ' ' TRP . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 357' ' ' LEU . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m -72.49 -18.68 61.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.24 160.17 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.128 1.371 . . . . 6.0 113.226 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -76.41 -19.3 58.24 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.409 1.084 . . . . 6.0 113.749 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 126.712 2.005 . . . . 6.0 111.423 -179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 121.215 0.341 . . . . 6.0 113.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 16.5 t -70.91 135.63 48.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.672 0.789 . . . . 6.0 111.829 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -139.03 156.77 46.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.902 1.681 . . . . 6.0 111.614 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -129.82 150.98 50.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.481 1.512 . . . . 6.0 111.446 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -84.92 -9.16 58.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.862 1.265 . . . . 6.0 114.165 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 25.0 p -74.7 159.39 32.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.678 1.591 . . . . 6.0 113.511 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 41.9 p -79.1 166.87 21.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.307 1.443 . . . . 6.0 112.071 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.6 58.49 2.25 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.633 1.173 . . . . 6.0 111.543 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.52 -14.0 46.72 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.374 1.47 . . . . 6.0 114.661 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.14 -16.49 48.66 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.882 1.229 . . . . 6.0 113.638 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.33 -13.17 61.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.191 1.396 . . . . 6.0 112.847 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.57 -29.22 0.87 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.385 1.945 . . . . 6.0 116.79 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.8 t -149.51 147.42 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.201 1.5 . . . . 6.0 111.942 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.74 -31.1 70.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.809 1.643 . . . . 6.0 111.847 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.15 -10.05 31.69 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.96 174.05 50.13 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.768 1.651 . . . . 6.0 114.34 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -77.44 -26.6 51.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.092 0.957 . . . . 6.0 113.153 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 78.8 p -133.93 156.29 48.39 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.853 1.661 . . . . 6.0 112.527 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p -136.91 159.71 41.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.188 1.795 . . . . 6.0 111.535 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 353' ' ' ILE . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.63 -129.28 1.87 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.76 110.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.892 . . . . 6.0 112.429 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 19.4 t -167.06 164.69 15.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.692 1.997 . . . . 6.0 110.274 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -102.33 -12.05 18.22 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.393 1.477 . . . . 6.0 112.154 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 19.4 m -158.63 151.38 22.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.542 1.937 . . . . 6.0 110.952 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -77.91 -6.89 55.8 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 57.2 p -82.4 6.5 16.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.373 1.869 . . . . 6.0 115.43 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 23.7 p -69.16 -9.17 51.53 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.311 1.967 . . . . 6.0 116.311 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.89 152.36 51.67 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.304 1.042 . . . . 6.0 113.285 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -97.59 134.51 22.41 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.52 1.528 . . . . 6.0 110.54 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo . . . . . 0 C--N 1.353 0.781 0 C-N-CA 123.727 2.951 . . . . 6.0 114.129 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.2 p -85.83 -14.73 44.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.592 1.557 . . . . 6.0 114.088 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -68.78 144.6 42.13 Favored Glycine 0 CA--C 1.544 1.861 0 C-N-CA 124.252 0.93 . . . . 6.0 113.376 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.23 157.84 45.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.558 2.839 . . . . 6.0 112.971 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.0 t -73.37 -29.75 62.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.676 0.791 . . . . 6.0 112.865 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.52 36.38 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.413 1.885 . . . . 6.0 110.497 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -145.65 116.29 4.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.515 1.126 . . . . 6.0 112.086 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.01 -49.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.93 2.42 . . . . 6.0 114.555 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.486 HD12 ' HB3' ' B' ' 465' ' ' LEU . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 383' ' ' HIS . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' HIS . . . . . 0.446 ' CE1' HD22 ' A' ' 391' ' ' LEU . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 383' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 359' ' ' LEU . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 364' ' ' HIS . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.464 ' HE3' HD11 ' B' ' 452' ' ' LEU . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.423 HG23 HD11 ' B' ' 449' ' ' LEU . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p -70.25 -17.11 63.11 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.9 137.96 35.1 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.708 1.203 . . . . 6.0 112.037 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -58.29 -27.58 64.2 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.586 1.698 . . . . 6.0 115.586 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 126.443 1.897 . . . . 6.0 110.848 -179.041 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 CA-C-O 121.226 0.348 . . . . 6.0 113.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -58.51 -20.21 43.98 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.077 1.51 . . . . 6.0 115.077 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -84.34 -7.55 59.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.792 1.237 . . . . 6.0 114.054 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 60.1 ttm -59.54 142.53 52.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.709 1.204 . . . . 6.0 112.681 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.45 69.33 10.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.478 1.511 . . . . 6.0 109.205 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 51.1 m -65.99 137.09 56.88 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.501 1.52 . . . . 6.0 113.314 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 16.1 p -85.98 148.83 25.57 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.408 1.483 . . . . 6.0 111.563 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -121.07 -37.53 2.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.154 0.982 . . . . 6.0 113.195 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -157.4 152.99 26.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.576 1.55 . . . . 6.0 110.898 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 174.81 139.72 3.1 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.454 0.549 . . . . 6.0 113.588 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -147.07 147.98 31.17 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.094 1.758 . . . . 6.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -172.85 -141.84 3.6 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.126 0.87 . . . . 6.0 113.631 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 15.1 t -135.3 167.45 21.01 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.204 1.802 . . . . 6.0 110.567 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.39 -39.93 84.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.983 1.313 . . . . 6.0 113.01 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 449' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 415' ' ' ILE . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.467 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 453' ' ' LEU . . . . . 0.467 ' N ' HD13 ' B' ' 452' ' ' LEU . 2.9 tp -79.4 -5.72 55.27 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.98 163.69 35.95 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.334 1.921 . . . . 6.0 114.915 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.29 -42.68 99.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.486 1.114 . . . . 6.0 111.961 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.9 m -117.66 136.77 53.1 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.519 1.528 . . . . 6.0 110.829 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p -127.67 -167.47 1.75 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.018 1.727 . . . . 6.0 111.422 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 353' ' ' ILE . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.64 146.73 13.03 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 17.0 m -109.94 154.91 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 126.087 1.755 . . . . 6.0 112.858 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.4 p -149.11 148.19 29.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.367 1.867 . . . . 6.0 109.605 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -80.34 44.59 0.7 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.477 1.111 . . . . 6.0 113.5 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 21.4 t -159.69 153.45 22.9 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.428 1.491 . . . . 6.0 111.948 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -92.33 -6.84 49.43 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.72 1.208 . . . . 6.0 112.562 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 99.1 p -72.26 166.0 23.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.824 1.65 . . . . 6.0 114.451 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 32.9 p -132.34 154.54 49.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.328 1.851 . . . . 6.0 111.284 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.45 157.98 44.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.767 1.227 . . . . 6.0 112.445 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -149.08 135.9 10.59 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.385 1.474 . . . . 6.0 110.187 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--N 1.353 0.778 0 C-N-CA 123.436 2.757 . . . . 6.0 113.976 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.828 0.677 . . . . 6.0 112.828 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.2 p -77.26 -18.73 57.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.938 1.295 . . . . 6.0 114.165 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.72 178.92 44.41 Favored Glycine 0 CA--C 1.543 1.844 0 C-N-CA 124.878 1.228 . . . . 6.0 114.955 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.52 161.55 43.85 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 124.144 3.23 . . . . 6.0 113.203 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 14.0 t -69.55 -24.25 63.69 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.269 1.028 . . . . 6.0 113.239 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.82 149.11 46.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.539 1.936 . . . . 6.0 110.456 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.3 143.13 93.26 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 121.623 -0.673 . . . . 6.0 112.549 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.9 -22.86 55.46 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.087 2.525 . . . . 6.0 114.612 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 364' ' ' HIS . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 454' ' ' GLY . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m -77.05 -33.66 57.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -152.91 118.77 5.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.008 1.323 . . . . 6.0 110.783 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -2.7 17.98 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.777 1.769 . . . . 6.0 115.777 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 . . . . . 0 N--CA 1.48 1.062 0 C-N-CA 126.593 1.957 . . . . 6.0 111.727 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 N-CA-C 114.012 0.365 . . . . 6.0 114.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.8 m -77.52 54.38 1.17 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.942 1.697 . . . . 6.0 113.228 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -70.73 157.01 38.78 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.247 1.419 . . . . 6.0 112.886 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 96.9 mtp -70.68 148.0 48.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 6.0 112.028 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -116.68 14.48 15.38 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.593 1.557 . . . . 6.0 114.214 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 24.3 m -60.23 136.82 58.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.819 1.248 . . . . 6.0 112.881 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.5 p -93.21 -16.6 24.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.042 1.337 . . . . 6.0 114.573 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.3 141.49 41.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.094 0.958 . . . . 6.0 112.24 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.51 161.64 42.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.624 1.57 . . . . 6.0 111.806 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -177.66 159.39 25.29 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.499 1.047 . . . . 6.0 113.386 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.03 147.66 27.4 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.39 1.476 . . . . 6.0 110.766 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.15 30.68 60.57 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.287 0.946 . . . . 6.0 114.004 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 77.8 p -74.25 -3.44 30.01 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.599 1.559 . . . . 6.0 114.468 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.27 1.13 3.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -27.3 25.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 419' ' ' LYS . . . 74.56 153.68 3.44 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.252 1.406 . . . . 6.0 114.606 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -71.39 -22.75 61.83 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 20.4 m -81.07 48.51 1.12 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.848 1.659 . . . . 6.0 114.071 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p -69.95 145.32 51.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.03 0.932 . . . . 6.0 112.883 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 170.58 -138.38 4.94 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.1 p -52.44 117.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.696 1.198 . . . . 6.0 113.303 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 18.1 t -166.18 -161.71 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.434 2.293 . . . . 6.0 108.441 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.33 -32.7 64.91 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.186 1.395 . . . . 6.0 112.502 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 46.6 m -77.91 72.01 4.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.37 1.468 . . . . 6.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -57.36 -26.28 60.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.297 1.439 . . . . 6.0 113.706 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 43.8 p -72.07 -16.26 62.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.017 1.327 . . . . 6.0 113.704 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 75.5 p -130.92 38.13 3.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.449 1.9 . . . . 6.0 111.329 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.81 15.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.091 1.885 . . . . 6.0 116.091 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.17 148.28 40.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.836 1.654 . . . . 6.0 112.143 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 C-N-CA 123.393 2.728 . . . . 6.0 112.361 179.578 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.651 0.982 . . . . 6.0 113.651 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.8 p -85.88 -14.05 46.06 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.631 1.572 . . . . 6.0 114.052 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.03 169.56 53.7 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.621 1.105 . . . . 6.0 114.436 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.27 162.32 42.87 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.905 3.07 . . . . 6.0 112.685 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.2 p -72.02 -22.1 61.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.5 1.12 . . . . 6.0 113.513 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -146.85 150.7 35.79 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.064 1.746 . . . . 6.0 111.357 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.31 135.68 61.39 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.607 0.763 . . . . 6.0 110.272 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -63.14 -42.86 21.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.728 2.285 . . . . 6.0 114.253 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.445 ' HE3' HD11 ' B' ' 452' ' ' LEU . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLY . . . . . 0.496 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.496 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m -66.25 -19.59 65.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -85.47 90.02 7.85 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.229 1.012 . . . . 6.0 111.483 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -76.07 -4.4 41.19 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.991 1.317 . . . . 6.0 114.392 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 127.406 2.282 . . . . 6.0 113.613 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 N-CA-C 114.745 0.658 . . . . 6.0 114.745 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 22.7 m -68.28 -8.38 39.03 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.51 1.524 . . . . 6.0 114.8 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -69.1 -21.27 64.06 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.973 1.309 . . . . 6.0 113.569 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.33 159.32 42.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.511 1.524 . . . . 6.0 112.891 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -150.13 102.57 3.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.969 1.708 . . . . 6.0 109.59 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 66.9 m -93.89 161.54 14.27 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.984 1.313 . . . . 6.0 111.77 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 35.4 m -124.18 144.72 49.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.108 1.363 . . . . 6.0 111.976 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.21 155.23 46.61 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.383 2.273 . . . . 6.0 110.028 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -145.17 143.28 30.24 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.206 0.817 . . . . 6.0 113.206 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -105.91 -174.74 23.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.947 1.737 . . . . 6.0 113.093 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.2 138.53 40.28 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.585 1.554 . . . . 6.0 110.391 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 160.79 -151.24 21.65 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.769 1.176 . . . . 6.0 112.723 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.0 t -136.42 150.15 48.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.542 1.537 . . . . 6.0 110.669 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 5.19 23.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.598 1.559 . . . . 6.0 114.788 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.42 -11.09 59.17 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 93.12 -166.74 28.68 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.834 1.207 . . . . 6.0 114.219 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.04 -31.7 70.68 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 9.6 t -151.81 151.1 30.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.491 1.116 . . . . 6.0 111.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p -112.92 -170.74 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.801 2.041 . . . . 6.0 112.343 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 160.31 -122.09 1.09 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.18 97.1 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.124 0.97 . . . . 6.0 110.777 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.7 t -151.44 163.55 38.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.0 1.72 . . . . 6.0 111.654 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 26.2 mmt -74.32 -15.63 60.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.374 1.07 . . . . 6.0 112.39 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.6 m -112.97 144.66 42.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.772 1.629 . . . . 6.0 111.789 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -153.06 163.66 39.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.026 1.33 . . . . 6.0 112.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 86.2 p -81.27 166.2 20.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.216 -0.927 . . . . 6.0 111.793 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 7.9 p -68.05 -9.95 49.94 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.107 -0.996 . . . . 6.0 113.237 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.6 -0.31 56.23 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.616 1.567 . . . . 6.0 113.064 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -131.96 155.76 80.96 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.492 1.517 . . . . 6.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.352 0.723 0 C-N-CA 123.617 2.878 . . . . 6.0 112.979 179.044 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.936 0 N-CA-C 113.71 1.004 . . . . 6.0 113.71 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.8 t -150.47 163.25 38.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.868 1.667 . . . . 6.0 111.894 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 76.91 -173.81 54.61 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.742 1.163 . . . . 6.0 114.751 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.59 164.69 34.44 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.189 3.26 . . . . 6.0 113.286 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.2 p -72.59 -29.36 63.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.303 1.041 . . . . 6.0 112.195 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -79.37 144.19 34.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.71 1.204 . . . . 6.0 111.584 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.31 143.48 16.95 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.852 1.261 . . . . 6.0 110.331 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.19 -36.14 96.1 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.699 2.266 . . . . 6.0 113.46 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 383' ' ' HIS . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' HIS . . . . . 0.441 ' HB2' HD11 ' A' ' 359' ' ' LEU . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.548 HG22 HD12 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t -74.33 -33.49 63.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -150.94 123.54 8.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.484 1.114 . . . . 6.0 112.153 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -87.9 -9.76 52.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 6.0 114.173 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 6.0 112.493 -179.514 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 114.788 0.675 . . . . 6.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 32.5 m -76.97 -11.14 59.76 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.09 1.356 . . . . 6.0 114.285 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.39 150.9 36.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.864 1.666 . . . . 6.0 111.344 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -131.05 121.96 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.609 1.564 . . . . 6.0 109.715 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.22 -27.57 61.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.244 1.018 . . . . 6.0 113.388 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.6 t -149.37 166.59 28.58 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.898 1.679 . . . . 6.0 111.381 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 48.5 m -125.74 135.03 51.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.783 1.633 . . . . 6.0 110.432 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -71.53 -32.76 68.53 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.369 0.877 . . . . 6.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.9 152.78 23.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.533 1.133 . . . . 6.0 112.23 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.87 54.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.297 0.951 . . . . 6.0 114.214 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.53 -25.12 59.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.941 0.896 . . . . 6.0 113.128 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 65.67 -160.38 44.44 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.367 1.46 . . . . 6.0 114.782 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.3 t -156.04 164.0 38.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.54 1.536 . . . . 6.0 111.037 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.01 -36.5 77.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.19 1.396 . . . . 6.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 395' ' ' THR 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.35 -13.5 62.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 100.46 -165.33 19.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.546 1.546 . . . . 6.0 113.98 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -64.77 -29.99 70.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.23 1.012 . . . . 6.0 113.67 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 83.3 p -150.33 149.93 30.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.07 1.348 . . . . 6.0 111.987 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m -116.62 136.37 53.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.552 1.541 . . . . 6.0 109.882 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 465' ' ' LEU . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 84.29 146.7 7.74 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.06 168.47 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 126.604 1.962 . . . . 6.0 111.521 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -122.34 155.66 35.52 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.273 1.212 . . . . 6.0 114.273 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 23.6 mmt -131.1 11.45 5.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.73 2.012 . . . . 6.0 112.104 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 15.7 t -65.24 140.31 58.71 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.057 0.943 . . . . 6.0 112.428 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.56 149.16 50.6 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.027 1.731 . . . . 6.0 111.206 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 31.8 p -81.84 156.48 24.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.0 1.32 . . . . 6.0 113.009 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 24.8 m -101.03 144.42 29.98 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.827 1.251 . . . . 6.0 110.618 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.76 -11.84 61.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.093 1.516 . . . . 6.0 115.093 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -146.08 159.59 45.68 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.183 1.793 . . . . 6.0 111.578 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 CA--C 1.539 0.748 0 C-N-CA 123.73 2.953 . . . . 6.0 113.876 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.838 1.051 . . . . 6.0 113.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.5 p -78.55 157.12 28.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.447 1.499 . . . . 6.0 113.032 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.55 48.42 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.835 1.207 . . . . 6.0 113.24 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.56 155.18 63.82 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.706 2.937 . . . . 6.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.0 p -79.25 -23.23 43.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.461 1.104 . . . . 6.0 113.828 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.79 164.59 35.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.852 1.661 . . . . 6.0 111.85 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.77 146.88 52.14 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.382 1.473 . . . . 6.0 110.634 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.63 -44.09 23.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.949 2.432 . . . . 6.0 113.89 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' B' ' 470' ' ' ASN . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 432' ' ' LEU . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.457 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 461' ' ' VAL . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p -71.28 -12.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -103.04 -46.81 4.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.094 1.357 . . . . 6.0 112.02 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -73.03 -29.36 62.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.984 1.105 . . . . 6.0 113.984 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 127.408 2.283 . . . . 6.0 114.171 174.593 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 N-CA-C 114.817 0.687 . . . . 6.0 114.817 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 25.6 m -72.05 141.91 49.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.374 1.47 . . . . 6.0 113.065 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -155.82 168.44 27.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.679 1.592 . . . . 6.0 111.406 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.11 139.18 52.47 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.363 0.665 . . . . 6.0 110.978 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -137.28 85.97 2.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.083 1.753 . . . . 6.0 110.746 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 37.8 m -73.89 158.09 35.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.798 1.239 . . . . 6.0 112.957 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.9 t -147.09 159.66 43.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.057 1.343 . . . . 6.0 111.046 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -75.93 164.4 26.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.389 1.076 . . . . 6.0 113.583 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.14 25.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.546 1.139 . . . . 6.0 113.568 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 54.68 -131.79 47.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.781 1.181 . . . . 6.0 113.743 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -0.14 46.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.639 1.176 . . . . 6.0 113.526 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -78.82 -6.26 88.55 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.253 1.406 . . . . 6.0 114.763 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 18.5 p -46.39 -43.62 16.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.454 1.502 . . . . 6.0 113.164 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.34 -35.94 78.8 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.055 1.742 . . . . 6.0 114.176 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.457 HD23 HG22 ' A' ' 395' ' ' THR 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.3 -24.38 67.27 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 126.99 -167.95 19.29 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 126.426 1.965 . . . . 6.0 112.596 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -71.98 -18.51 61.98 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.184 0.809 . . . . 6.0 113.184 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.6 p -151.7 165.41 34.47 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.228 1.811 . . . . 6.0 111.736 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p -128.65 156.02 44.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.076 1.75 . . . . 6.0 111.218 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 461' ' ' VAL . . . . . 0.406 ' HA ' ' HE3' ' A' ' 401' ' ' LYS . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 470' ' ' ASN . . . . . 0.407 ' CG ' HD23 ' A' ' 352' ' ' LEU . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.46 -131.87 2.48 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 106.64 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 122.285 1.041 . . . . 6.0 113.106 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 95.7 p -165.61 176.36 8.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.85 2.06 . . . . 6.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -82.2 12.25 4.51 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.232 1.013 . . . . 6.0 113.494 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 8.6 t -65.6 150.39 48.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.564 1.145 . . . . 6.0 112.578 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -76.3 151.17 36.8 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.217 1.007 . . . . 6.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 67.7 p -73.81 162.63 28.92 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.817 1.247 . . . . 6.0 112.606 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -148.16 156.79 43.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.787 1.235 . . . . 6.0 111.796 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.37 44.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.703 1.601 . . . . 6.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -146.02 158.13 49.12 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.188 1.395 . . . . 6.0 112.038 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--N 1.353 0.765 0 C-N-CA 123.819 3.013 . . . . 6.0 113.038 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.775 1.028 . . . . 6.0 113.775 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.0 m -78.32 69.12 4.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.803 1.641 . . . . 6.0 111.026 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.48 54.85 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.24 0.924 . . . . 6.0 113.945 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 155.46 68.82 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.137 2.558 . . . . 6.0 111.628 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.93 -45.32 74.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.512 0.725 . . . . 6.0 112.375 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -159.26 97.06 1.34 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.573 1.549 . . . . 6.0 110.547 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -148.35 125.01 5.42 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 123.76 0.824 . . . . 6.0 112.438 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -82.59 -25.57 2.99 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.835 3.023 . . . . 6.0 114.128 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.422 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m 0.61 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.25 -34.16 63.78 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.581 1.552 . . . . 6.0 112.532 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -74.94 -9.19 58.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 126.805 2.042 . . . . 6.0 110.513 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 114.757 0.663 . . . . 6.0 114.757 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 84.8 p -60.79 -26.68 67.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 6.0 114.214 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -81.22 -9.66 59.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.027 1.331 . . . . 6.0 113.651 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.78 -18.45 65.38 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.043 -1.035 . . . . 6.0 113.33 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -57.11 -23.14 44.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.386 1.474 . . . . 6.0 113.959 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 48.2 m -78.16 -12.77 60.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.981 1.312 . . . . 6.0 113.45 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 22.3 p -84.6 146.9 27.27 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.421 1.088 . . . . 6.0 110.824 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -141.28 160.93 39.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.185 . . . . 6.0 113.103 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.81 172.98 12.25 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.22 1.808 . . . . 6.0 111.931 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 105.61 -1.59 39.4 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.313 1.435 . . . . 6.0 113.661 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 151.82 39.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.533 2.333 . . . . 6.0 109.074 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.88 -27.08 0.77 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.699 1.142 . . . . 6.0 115.248 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.7 p -61.33 -50.91 71.03 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.352 1.461 . . . . 6.0 112.178 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.81 -40.52 69.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.103 0.961 . . . . 6.0 112.036 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -7.97 54.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 81.51 172.17 46.45 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.437 1.494 . . . . 6.0 114.427 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.41 -41.58 93.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.833 0.853 . . . . 6.0 112.663 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 14.6 m -138.67 152.07 47.74 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.173 1.389 . . . . 6.0 112.424 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p -130.82 157.28 43.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.905 1.682 . . . . 6.0 111.62 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.19 -124.49 1.22 Allowed Glycine 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 2.3 p -55.41 124.36 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.979 0.912 . . . . 6.0 111.813 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 42.7 t -158.33 157.52 32.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.771 2.028 . . . . 6.0 110.93 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 45.7 ttm -94.77 -2.88 50.13 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.187 1.395 . . . . 6.0 112.947 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 67.8 m -75.47 65.99 1.8 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.921 1.288 . . . . 6.0 112.607 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -143.95 164.75 29.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.321 1.848 . . . . 6.0 112.01 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 26.9 t -76.08 155.81 34.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.67 0.788 . . . . 6.0 111.703 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 56.2 p -118.93 3.88 11.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.079 1.752 . . . . 6.0 113.248 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.73 155.7 40.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.471 1.108 . . . . 6.0 113.206 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.76 150.02 68.72 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.591 1.557 . . . . 6.0 111.356 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.351 0.688 0 C-N-CA 123.469 2.779 . . . . 6.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.751 1.019 . . . . 6.0 113.751 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.9 t -148.26 173.3 13.16 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.718 1.607 . . . . 6.0 111.924 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.52 162.27 47.67 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.721 1.153 . . . . 6.0 114.41 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.74 152.11 63.99 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.697 2.932 . . . . 6.0 112.935 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 t -68.95 -30.04 68.4 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.563 0.579 . . . . 6.0 112.563 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -114.07 129.15 56.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.655 1.582 . . . . 6.0 111.129 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -159.33 161.79 26.85 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.129 1.772 . . . . 6.0 110.377 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.93 -27.24 79.68 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.58 2.187 . . . . 6.0 114.655 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.427 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' A' ' 357' ' ' LEU . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.457 HG23 HD11 ' B' ' 449' ' ' LEU . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 357' ' ' LEU . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m -65.45 -32.14 73.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -158.67 110.65 2.21 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.371 1.468 . . . . 6.0 110.665 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.7 -16.17 60.76 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 126.19 1.796 . . . . 6.0 111.538 -179.311 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 114.041 0.376 . . . . 6.0 114.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 24.3 m -66.2 154.6 39.36 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.681 1.192 . . . . 6.0 112.766 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -71.2 14.26 0.17 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.799 1.778 . . . . 6.0 115.799 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 28.0 ptm -79.4 6.06 11.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.172 1.789 . . . . 6.0 114.625 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.22 -16.68 62.51 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 47.0 m -63.61 139.28 58.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.492 1.117 . . . . 6.0 112.934 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 37.9 p -140.87 160.04 40.92 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.764 1.626 . . . . 6.0 111.926 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -76.37 153.87 35.41 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.052 0.941 . . . . 6.0 112.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.17 60.64 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 69.34 16.36 71.24 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.86 1.219 . . . . 6.0 115.422 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -80.75 113.83 19.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.551 1.176 . . . . 6.0 110.786 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -74.36 -16.93 79.7 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.743 1.163 . . . . 6.0 115.338 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.6 t -156.74 156.66 33.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.607 1.563 . . . . 6.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.09 -34.15 76.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.856 1.262 . . . . 6.0 112.008 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 449' ' ' LEU . . . . . 0.457 HD11 HG23 ' A' ' 415' ' ' ILE . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt -68.02 -16.87 64.23 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 85.49 -173.08 47.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.142 1.354 . . . . 6.0 113.56 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -76.58 -16.09 59.68 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.231 1.196 . . . . 6.0 114.231 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 51.4 m -121.26 152.67 38.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.299 1.44 . . . . 6.0 113.097 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p -143.04 179.15 7.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.996 2.118 . . . . 6.0 110.199 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' A' ' 353' ' ' ILE . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . -171.3 -128.39 1.03 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.67 102.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.13 1.372 . . . . 6.0 113.516 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 33.5 t -165.06 156.06 14.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.189 2.196 . . . . 6.0 109.734 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 41.7 ttm -148.19 39.25 0.91 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.365 1.466 . . . . 6.0 110.573 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 97.8 p -132.78 167.75 19.59 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.517 1.302 . . . . 6.0 114.517 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -138.8 170.92 15.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.723 2.009 . . . . 6.0 110.574 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 24.3 t -64.65 153.32 39.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.202 1.001 . . . . 6.0 112.905 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.8 p -74.4 -26.19 59.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.905 1.282 . . . . 6.0 111.814 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.99 161.58 26.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.077 1.351 . . . . 6.0 112.719 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.17 135.38 76.56 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.873 0.869 . . . . 6.0 111.515 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo . . . . . 0 C--N 1.353 0.78 0 C-N-CA 123.79 2.994 . . . . 6.0 114.118 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.843 0.683 . . . . 6.0 112.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 9.8 m -73.21 -30.15 63.3 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.598 1.159 . . . . 6.0 112.804 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.96 172.62 54.12 Favored Glycine 0 CA--C 1.544 1.85 0 C-N-CA 124.649 1.119 . . . . 6.0 114.616 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -69.86 164.25 35.35 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.021 3.147 . . . . 6.0 112.837 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -68.25 -21.9 64.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.587 1.155 . . . . 6.0 113.327 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.22 140.93 32.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.625 1.97 . . . . 6.0 109.845 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 132.51 91.06 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 121.484 -0.76 . . . . 6.0 111.572 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -64.26 -34.47 55.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.186 2.59 . . . . 6.0 114.31 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.432 ' HE1' HD11 ' B' ' 452' ' ' LEU . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m -84.26 2.57 39.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -143.01 172.83 12.17 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.216 2.206 . . . . 6.0 111.287 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -4.02 6.68 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.089 2.255 . . . . 6.0 117.089 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 126.963 2.105 . . . . 6.0 110.303 178.113 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 CA-C-O 121.297 0.387 . . . . 6.0 114.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 21.3 m -65.25 144.59 57.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.475 1.11 . . . . 6.0 112.752 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -149.24 168.68 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.098 1.359 . . . . 6.0 112.208 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 63.4 ttp -70.1 140.39 52.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 6.0 110.854 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -82.14 -25.32 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 18.4 m -71.8 159.85 33.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.578 1.551 . . . . 6.0 112.5 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.3 t -140.38 168.5 19.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.934 1.294 . . . . 6.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -137.75 154.44 49.61 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.432 1.893 . . . . 6.0 111.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.84 148.09 26.47 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.235 1.014 . . . . 6.0 112.37 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 166.04 177.52 38.21 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.472 1.034 . . . . 6.0 113.593 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -135.18 113.46 11.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.046 1.338 . . . . 6.0 111.216 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.64 163.49 51.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.547 1.07 . . . . 6.0 113.078 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 30.9 p -141.44 157.62 44.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.904 2.082 . . . . 6.0 112.485 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.41 -32.89 74.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.181 0.993 . . . . 6.0 109.835 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.07 -9.18 36.6 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.68 -176.95 21.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.077 1.798 . . . . 6.0 113.017 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -73.69 -22.69 59.85 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.219 1.008 . . . . 6.0 112.732 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 50.5 m -135.11 160.7 37.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.937 1.695 . . . . 6.0 111.899 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p -133.43 175.65 9.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.163 1.385 . . . . 6.0 111.833 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 353' ' ' ILE . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.59 -133.29 2.88 Favored Glycine 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 10.7 p -57.16 141.03 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.576 1.15 . . . . 6.0 112.557 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 11.9 t -150.3 174.49 12.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.524 1.53 . . . . 6.0 111.076 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 6.9 tpt -50.25 -56.54 10.7 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.676 1.59 . . . . 6.0 111.746 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.3 m -91.89 119.38 31.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.886 0.874 . . . . 6.0 111.196 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -153.46 162.68 41.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.293 1.437 . . . . 6.0 111.374 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 41.8 m -73.49 139.38 45.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.837 0.855 . . . . 6.0 112.734 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -157.27 173.92 16.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.932 1.693 . . . . 6.0 110.536 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.97 10.02 35.17 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.328 1.603 . . . . 6.0 115.328 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -134.23 146.74 60.88 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.052 1.341 . . . . 6.0 112.925 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 C-N-CA 123.019 2.48 . . . . 6.0 112.733 -178.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 112.83 0.678 . . . . 6.0 112.83 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.4 p -78.95 158.8 27.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.98 1.312 . . . . 6.0 112.748 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.55 175.02 46.82 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.546 1.069 . . . . 6.0 113.592 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.81 160.71 47.17 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.029 3.153 . . . . 6.0 113.137 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.4 p -77.05 -17.77 58.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.944 1.298 . . . . 6.0 113.712 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.53 160.98 38.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.1 1.76 . . . . 6.0 111.89 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -137.17 132.62 18.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.364 1.465 . . . . 6.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.63 -34.32 42.06 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.609 2.873 . . . . 6.0 114.628 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.443 HH12 ' HB2' ' B' ' 466' ' ' ALA . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.459 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.432 HG22 HD23 ' B' ' 452' ' ' LEU . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.492 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p -62.37 -25.32 67.86 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.5 121.59 24.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.056 0.942 . . . . 6.0 111.377 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -76.07 -17.47 59.62 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.478 1.111 . . . . 6.0 113.46 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 125.212 1.405 . . . . 6.0 111.878 178.842 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.39 0 N-CA-C 114.701 0.641 . . . . 6.0 114.701 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 69.1 p -61.05 -20.22 62.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.252 1.421 . . . . 6.0 114.041 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -71.56 -15.64 62.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.713 1.605 . . . . 6.0 113.313 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 72.7 mtm -81.07 61.62 4.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.949 1.3 . . . . 6.0 111.041 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -3.86 21.13 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 82.3 p -151.81 163.23 39.63 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.057 1.743 . . . . 6.0 111.473 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 10.4 t -156.64 165.4 36.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.963 1.305 . . . . 6.0 110.971 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.48 179.13 7.3 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.956 1.303 . . . . 6.0 112.516 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.45 -16.02 59.39 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.056 1.873 . . . . 6.0 116.056 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.53 141.23 5.39 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.022 1.296 . . . . 6.0 112.727 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.24 169.23 22.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.927 1.691 . . . . 6.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -72.35 60.57 1.51 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.787 1.66 . . . . 6.0 114.545 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 45.7 p -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.116 0.967 . . . . 6.0 113.031 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.46 -47.59 15.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.134 0.973 . . . . 6.0 110.304 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.543 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 453' ' ' LEU . . . . . 0.543 ' N ' HD13 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.9 -10.46 42.45 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.44 -175.29 53.55 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.114 1.34 . . . . 6.0 113.998 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.47 -44.8 70.46 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.749 -0.853 . . . . 6.0 113.093 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 73.5 m -141.81 135.37 29.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.38 1.472 . . . . 6.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.89 162.01 16.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.111 1.364 . . . . 6.0 111.797 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 466' ' ' ALA . . . . . 0.443 ' HB2' HH12 ' A' ' 350' ' ' ARG . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.76 150.21 8.89 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 22.7 m -96.21 154.66 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.435 1.894 . . . . 6.0 111.988 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -91.94 79.71 5.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.92 0.888 . . . . 6.0 112.257 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -114.79 129.4 56.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.53 1.532 . . . . 6.0 109.564 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 28.2 t -70.78 109.71 5.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.924 0.89 . . . . 6.0 112.586 -177.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -77.62 148.39 35.12 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.198 0.999 . . . . 6.0 111.614 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 97.6 p -156.41 -179.23 7.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.559 1.544 . . . . 6.0 111.781 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.2 t -127.95 146.53 50.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.095 1.358 . . . . 6.0 111.599 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.77 163.03 33.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.576 1.55 . . . . 6.0 112.683 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.79 156.0 78.92 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.708 1.603 . . . . 6.0 111.479 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.902 3.068 . . . . 6.0 114.024 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.968 0 N-CA-C 113.862 1.06 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 38.5 p -82.22 158.67 23.46 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.586 1.555 . . . . 6.0 112.866 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -169.78 54.23 Favored Glycine 0 CA--C 1.543 1.829 0 C-N-CA 124.197 0.903 . . . . 6.0 114.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.88 164.74 34.71 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.779 2.986 . . . . 6.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.6 p -67.6 -25.33 65.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.238 1.015 . . . . 6.0 113.147 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.17 153.72 36.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.104 1.762 . . . . 6.0 111.244 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.12 154.85 88.49 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 122.966 0.506 . . . . 6.0 110.946 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -60.92 -31.66 91.75 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.544 2.163 . . . . 6.0 114.31 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' HIS . . . . . 0.518 ' CE1' HD22 ' A' ' 391' ' ' LEU . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 364' ' ' HIS . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.45 HG22 HD13 ' B' ' 452' ' ' LEU . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASP . . . . . 0.629 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m -77.78 -7.31 56.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.44 143.64 53.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.131 0.972 . . . . 6.0 112.148 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -68.9 -14.91 63.32 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.864 1.266 . . . . 6.0 111.867 -179.785 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.552 0 N-CA-C 114.749 0.66 . . . . 6.0 114.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 6.7 t -65.58 151.64 45.97 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.908 1.283 . . . . 6.0 113.193 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -88.07 139.66 30.28 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.277 1.431 . . . . 6.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 64.3 mtt -123.35 -65.45 1.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.027 1.331 . . . . 6.0 109.377 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -120.91 -21.43 6.56 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.468 1.907 . . . . 6.0 111.592 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 76.3 p -153.69 166.67 32.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 129.189 2.996 . . . . 6.0 108.899 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 26.4 m -99.7 135.14 41.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.176 0.99 . . . . 6.0 110.333 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.32 142.97 32.56 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.421 1.088 . . . . 6.0 112.707 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.25 169.09 23.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.622 1.569 . . . . 6.0 111.617 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.43 -179.51 40.31 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.283 0.944 . . . . 6.0 113.871 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.6 -15.28 62.25 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.949 1.092 . . . . 6.0 113.949 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.0 21.7 0.05 OUTLIER Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.459 1.028 . . . . 6.0 114.992 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 13.8 p -64.68 -17.69 64.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.297 1.439 . . . . 6.0 113.523 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.29 -16.45 53.99 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.58 1.552 . . . . 6.0 114.024 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 395' ' ' THR . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.9 -26.91 40.04 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.47 11.27 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.346 1.451 . . . . 6.0 114.838 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.39 -25.17 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.14 0.976 . . . . 6.0 113.441 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 48.9 m -80.27 61.39 4.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.277 1.431 . . . . 6.0 112.202 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p -70.81 166.34 21.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.762 1.225 . . . . 6.0 113.879 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.34 150.26 8.48 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.36 161.8 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.925 2.09 . . . . 6.0 111.318 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 70.5 m -68.5 117.22 9.97 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.289 -0.882 . . . . 6.0 109.903 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 17.5 mmt -72.72 -8.44 55.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.534 0.938 . . . . 6.0 113.534 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.7 m -132.43 155.28 48.78 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 128.042 2.537 . . . . 6.0 108.628 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -61.18 134.74 57.34 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.471 -0.768 . . . . 6.0 111.927 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -139.88 26.53 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.704 1.201 . . . . 6.0 113.558 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 41.6 p -71.46 -17.66 62.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.143 1.377 . . . . 6.0 114.569 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.81 166.5 26.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.666 1.586 . . . . 6.0 111.953 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.73 151.0 61.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.505 1.522 . . . . 6.0 111.798 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 C-N-CA 123.31 2.674 . . . . 6.0 112.458 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 112.765 0.654 . . . . 6.0 112.765 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -150.01 161.52 42.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.178 1.391 . . . . 6.0 111.787 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.05 172.59 44.77 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 125.088 1.327 . . . . 6.0 113.388 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.75 164.36 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.862 3.041 . . . . 6.0 112.891 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.9 p -71.33 -22.34 61.94 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.9 1.28 . . . . 6.0 113.694 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -152.43 166.56 31.55 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.34 2.256 . . . . 6.0 109.645 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.16 131.63 92.04 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 121.444 -0.785 . . . . 6.0 113.059 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.38 -30.58 19.15 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.624 2.883 . . . . 6.0 114.435 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' HIS . . . . . 0.407 ' HB2' HD21 ' B' ' 441' ' ' LEU . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' MET . . . . . 0.488 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.489 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' ILE . . . . . 0.454 HG13 HD21 ' B' ' 465' ' ' LEU . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t -61.8 -28.07 69.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.57 113.42 25.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.653 1.181 . . . . 6.0 111.103 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -87.43 -16.88 33.58 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.937 1.088 . . . . 6.0 113.937 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.681 1.592 . . . . 6.0 111.519 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.083 0.393 . . . . 6.0 114.083 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 8.7 t -148.66 160.37 43.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.245 1.418 . . . . 6.0 111.652 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -76.56 166.72 23.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.884 1.274 . . . . 6.0 112.846 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 52.2 ttm -76.89 72.03 3.45 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.877 1.271 . . . . 6.0 112.702 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.04 -33.86 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.663 1.185 . . . . 6.0 111.574 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 49.6 m -146.63 157.88 43.8 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.907 2.483 . . . . 6.0 109.432 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 9.5 t -148.29 148.07 30.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.434 0.902 . . . . 6.0 113.434 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -80.92 -11.86 59.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.84 1.256 . . . . 6.0 112.234 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.43 3.43 28.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.216 1.406 . . . . 6.0 114.132 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.95 145.08 17.99 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.619 1.581 . . . . 6.0 112.63 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -147.67 162.76 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.737 1.615 . . . . 6.0 111.624 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 95.99 126.84 5.17 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.759 1.647 . . . . 6.0 111.896 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 6.7 t -150.89 41.49 0.76 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.016 1.389 . . . . 6.0 111.992 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.49 -36.7 64.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.061 1.344 . . . . 6.0 113.186 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 441' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 362' ' ' HIS . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 453' ' ' LEU . . . . . 0.54 ' N ' HD13 ' B' ' 452' ' ' LEU . 5.1 tp -78.27 -8.03 57.89 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 77.76 -171.78 55.15 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.421 1.01 . . . . 6.0 113.118 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.01 -34.61 78.11 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.855 1.057 . . . . 6.0 113.855 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 7.2 t -156.46 167.3 30.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.521 1.129 . . . . 6.0 112.751 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p -137.26 157.58 46.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.252 2.221 . . . . 6.0 110.435 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 465' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 414' ' ' ILE . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 83.41 145.61 6.34 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 27.5 m -83.22 166.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.985 1.714 . . . . 6.0 111.027 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -57.57 119.65 6.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.452 -0.78 . . . . 6.0 112.54 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 36.5 ttm -151.05 -36.86 0.13 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.345 1.458 . . . . 6.0 113.239 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 59.5 p -147.14 174.84 11.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.579 1.551 . . . . 6.0 112.311 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -58.7 -30.68 67.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.867 -1.146 . . . . 6.0 112.342 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 18.0 m -62.35 -27.43 69.05 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.725 1.21 . . . . 6.0 112.965 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 44.3 p -92.34 -20.92 20.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.987 1.315 . . . . 6.0 112.959 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.87 -34.48 13.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.854 1.261 . . . . 6.0 113.901 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.11 129.88 52.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.049 1.34 . . . . 6.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 C-N-CA 123.165 2.577 . . . . 6.0 112.372 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.849 0.685 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.0 m -65.79 138.7 58.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.858 1.263 . . . . 6.0 111.935 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.76 170.22 51.57 Favored Glycine 0 CA--C 1.545 1.91 0 C-N-CA 124.357 0.98 . . . . 6.0 114.737 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.66 162.29 42.59 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.044 3.163 . . . . 6.0 112.956 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -72.71 -25.41 61.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.534 1.133 . . . . 6.0 113.545 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.56 24.9 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.931 1.693 . . . . 6.0 110.447 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.2 132.71 69.71 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 123.653 0.781 . . . . 6.0 112.452 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.66 -33.75 27.13 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.28 2.654 . . . . 6.0 114.363 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.425 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.485 HD22 ' CE1' ' A' ' 364' ' ' HIS . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ILE . . . . . 0.463 HG23 HD11 ' B' ' 449' ' ' LEU . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m -75.1 -5.28 43.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.1 168.27 13.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.364 1.866 . . . . 6.0 112.513 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.99 -4.78 40.29 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.668 1.587 . . . . 6.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 114.781 0.673 . . . . 6.0 114.781 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.3 t -75.66 155.73 35.49 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.667 1.187 . . . . 6.0 112.62 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 155.1 41.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.829 1.252 . . . . 6.0 113.058 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 65.3 mtt -120.68 139.94 52.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.138 1.375 . . . . 6.0 110.725 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -97.57 -0.98 44.89 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.635 1.346 . . . . 6.0 114.635 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 19.5 m -79.42 44.25 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.07 1.748 . . . . 6.0 113.442 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 13.6 t -151.62 162.07 41.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.759 1.623 . . . . 6.0 111.59 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -146.35 154.04 41.21 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.239 1.415 . . . . 6.0 112.523 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -149.55 163.05 38.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.706 1.602 . . . . 6.0 111.616 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -67.25 140.63 37.84 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.862 0.744 . . . . 6.0 113.017 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.71 -8.22 26.49 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.279 1.215 . . . . 6.0 114.279 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 69.58 -151.23 50.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.109 0.861 . . . . 6.0 113.161 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 66.5 p -132.86 161.31 34.52 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.575 1.95 . . . . 6.0 109.978 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.68 -39.45 94.0 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.613 -0.679 . . . . 6.0 111.497 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 443' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 449' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 415' ' ' ILE . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.12 -38.28 61.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 71.19 -172.08 45.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.668 1.128 . . . . 6.0 114.062 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -90.25 -16.61 29.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.251 1.02 . . . . 6.0 113.459 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 19.9 m -80.14 45.28 0.73 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.568 1.547 . . . . 6.0 113.841 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p -77.82 172.81 12.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.609 1.564 . . . . 6.0 112.8 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 463' ' ' THR . . . . . 0.457 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 159.57 -129.72 2.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.26 101.89 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.266 1.026 . . . . 6.0 111.39 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 38.1 t -153.88 152.13 30.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.424 1.089 . . . . 6.0 112.315 -177.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.13 1.53 18.87 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.842 1.657 . . . . 6.0 111.597 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.1 m -93.91 165.48 12.65 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.156 1.782 . . . . 6.0 111.417 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -68.14 141.73 55.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.456 -0.778 . . . . 6.0 112.145 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 10.1 t -151.71 158.0 42.79 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.363 1.465 . . . . 6.0 110.936 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 38.7 m -133.17 137.86 46.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.1 1.36 . . . . 6.0 111.534 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.6 157.6 43.75 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.626 1.57 . . . . 6.0 111.61 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.68 132.27 72.33 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.895 0.878 . . . . 6.0 111.257 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.258 2.639 . . . . 6.0 112.494 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.537 0.633 0 N-CA-C 114.855 1.059 . . . . 6.0 114.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 383' ' ' HIS . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' A' ' 359' ' ' LEU . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.734 0.272 . . . . 6.0 111.734 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.048 0.451 . . . . 6.0 111.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.544 0.999 0 N-CA-C 116.071 1.527 . . . . 6.0 116.071 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.477 HD22 ' C ' ' B' ' 434' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 452' ' ' LEU 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.008 -0.367 . . . . 6.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.535 0.545 0 N-CA-C 114.622 0.97 . . . . 6.0 114.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 383' ' ' HIS . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . 0.45 ' HB3' HD11 ' B' ' 476' ' ' LEU . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 395' ' ' THR . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.524 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.825 0.676 . . . . 6.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' B' ' 440' ' ' HIS . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' B' ' 437' ' ' ALA . 54.7 m-70 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . 0.441 HD23 ' H ' ' B' ' 441' ' ' LEU . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.524 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.873 0.368 . . . . 6.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 383' ' ' HIS . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 CA--C 1.53 0.322 0 N-CA-C 114.016 0.737 . . . . 6.0 114.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.408 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 452' ' ' LEU . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.515 0.561 . . . . 6.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.927 -0.397 . . . . 6.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 CA--C 1.536 0.618 0 N-CA-C 112.968 0.334 . . . . 6.0 112.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.464 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.557 ' O ' HD12 ' B' ' 434' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.464 HD23 HG22 ' A' ' 395' ' ' THR 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.782 0.66 . . . . 6.0 112.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.534 0.491 0 N-CA-C 113.935 0.706 . . . . 6.0 113.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.563 ' HE3' HD11 ' B' ' 452' ' ' LEU . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.489 HD23 HD21 ' B' ' 438' ' ' LEU . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.691 0.997 . . . . 6.0 113.691 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 432' ' ' LEU . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.563 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . 0.49 ' N ' HD13 ' B' ' 452' ' ' LEU . 3.2 tp . . . . . 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.699 0.285 . . . . 6.0 111.603 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.648 0 N-CA-C 114.351 0.866 . . . . 6.0 114.351 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 358' ' ' VAL 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . 0.442 ' N ' HD22 ' A' ' 357' ' ' LEU . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 391' ' ' LEU . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 364' ' ' HIS . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 121.61 0.719 . . . . 6.0 112.665 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.469 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.431 HD22 ' O ' ' B' ' 452' ' ' LEU 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.926 0.713 . . . . 6.0 112.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 353' ' ' ILE . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.607 0 N-CA-C 114.507 0.926 . . . . 6.0 114.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . 0.427 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.444 HD21 ' CZ3' ' A' ' 418' ' ' TRP . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 357' ' ' LEU . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 111.847 0.314 . . . . 6.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.19 0.519 . . . . 6.0 111.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 353' ' ' ILE . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 N-CA-C 114.555 0.944 . . . . 6.0 114.555 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.486 HD12 ' HB3' ' B' ' 465' ' ' LEU . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.6 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 383' ' ' HIS . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . 0.446 ' CE1' HD22 ' A' ' 391' ' ' LEU . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 359' ' ' LEU . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 364' ' ' HIS . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.464 ' HE3' HD11 ' B' ' 452' ' ' LEU . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . 0.423 HG23 HD11 ' B' ' 449' ' ' LEU . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . 0.428 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 415' ' ' ILE . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.467 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . 0.467 ' N ' HD13 ' B' ' 452' ' ' LEU . 2.9 tp . . . . . 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.46 0.171 . . . . 6.0 111.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 353' ' ' ILE . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 CA--C 1.533 0.454 0 N-CA-C 114.612 0.966 . . . . 6.0 114.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 364' ' ' HIS . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 112.883 0.697 . . . . 6.0 112.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo . . . . . 0 CA--C 1.534 0.519 0 N-CA-C 114.253 0.828 . . . . 6.0 114.253 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.445 ' HE3' HD11 ' B' ' 452' ' ' LEU . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . 0.496 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.496 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 114.788 1.403 . . . . 6.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.343 0.498 . . . . 6.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.536 0.6 0 N-CA-C 113.46 0.523 . . . . 6.0 113.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 383' ' ' HIS . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . 0.441 ' HB2' HD11 ' A' ' 359' ' ' LEU . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.548 HG22 HD12 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.327 0.492 . . . . 6.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 395' ' ' THR 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.882 -0.414 . . . . 6.0 109.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 465' ' ' LEU . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 CA--C 1.531 0.333 0 N-CA-C 113.89 0.688 . . . . 6.0 113.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' B' ' 470' ' ' ASN . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 432' ' ' LEU . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.457 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 461' ' ' VAL . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.457 HD23 HG22 ' A' ' 395' ' ' THR 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 111.218 0.081 . . . . 6.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . 0.406 ' HA ' ' HE3' ' A' ' 401' ' ' LYS . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . 0.407 ' CG ' HD23 ' A' ' 352' ' ' LEU . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.536 0.621 0 N-CA-C 114.128 0.78 . . . . 6.0 114.128 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.439 HE22 ' HG2' ' A' ' 431' ' ' PRO . 29.0 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . 0.422 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . 0.439 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.036 0.384 . . . . 6.0 112.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.813 0.339 . . . . 6.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 114.655 0.983 . . . . 6.0 114.655 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.427 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' A' ' 357' ' ' LEU . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . 0.457 HG23 HD11 ' B' ' 449' ' ' LEU . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 357' ' ' LEU . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.008 0.373 . . . . 6.0 112.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . 0.457 HD11 HG23 ' A' ' 415' ' ' ILE . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.199 -0.297 . . . . 6.0 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' A' ' 353' ' ' ILE . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.432 ' HE1' HD11 ' B' ' 452' ' ' LEU . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 109.835 -0.431 . . . . 6.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.77 0.319 . . . . 6.0 111.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 353' ' ' ILE . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.534 0.493 0 N-CA-C 114.628 0.972 . . . . 6.0 114.628 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.443 HH12 ' HB2' ' B' ' 466' ' ' ALA . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.459 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.432 HG22 HD23 ' B' ' 452' ' ' LEU . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.492 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.664 0.269 . . . . 6.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.543 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . 0.543 ' N ' HD13 ' B' ' 452' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 111.797 0.295 . . . . 6.0 111.797 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . 0.443 ' HB2' HH12 ' A' ' 350' ' ' ARG . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.532 0.415 0 N-CA-C 114.31 0.85 . . . . 6.0 114.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . 0.518 ' CE1' HD22 ' A' ' 391' ' ' LEU . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 364' ' ' HIS . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.45 HG22 HD13 ' B' ' 452' ' ' LEU . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . 0.629 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 114.024 1.12 . . . . 6.0 114.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 395' ' ' THR . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 113.879 1.066 . . . . 6.0 113.879 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.536 0.622 0 N-CA-C 114.435 0.898 . . . . 6.0 114.435 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.1 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . 0.407 ' HB2' HD21 ' B' ' 441' ' ' LEU . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . 0.488 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . 0.489 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . 0.454 HG13 HD21 ' B' ' 465' ' ' LEU . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . 0.425 ' HG2' HE22 ' A' ' 354' ' ' GLN . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.186 0.81 . . . . 6.0 113.186 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 362' ' ' HIS . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . 0.54 ' N ' HD13 ' B' ' 452' ' ' LEU . 5.1 tp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.435 -0.209 . . . . 6.0 110.435 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 414' ' ' ILE . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.536 0.587 0 N-CA-C 114.363 0.87 . . . . 6.0 114.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' CYS . . . . . 0.425 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.485 HD22 ' CE1' ' A' ' 364' ' ' HIS . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ILE . . . . . 0.463 HG23 HD11 ' B' ' 449' ' ' LEU . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.588 0.232 . . . . 6.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 443' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 449' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 415' ' ' ILE . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 112.8 0.667 . . . . 6.0 112.8 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 463' ' ' THR . . . . . 0.457 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 113.824 1.046 . . . . 6.0 113.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -132.91 156.95 46.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.378 1.871 . . . . 6.0 112.23 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.15 164.69 54.74 Favored Glycine 0 CA--C 1.543 1.792 0 C-N-CA 124.12 0.867 . . . . 6.0 114.181 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.63 163.31 38.87 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.982 3.121 . . . . 6.0 112.842 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.7 p -73.6 -21.97 60.17 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.654 1.181 . . . . 6.0 113.58 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.68 155.8 43.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.478 1.911 . . . . 6.0 110.864 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.78 138.63 14.01 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.389 1.075 . . . . 6.0 111.335 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -63.18 -21.02 72.21 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.496 2.798 . . . . 6.0 114.855 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.96 -27.8 69.09 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.735 -1.228 . . . . 6.0 111.568 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.81 79.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.728 0.694 . . . . 6.0 109.668 173.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -68.95 -37.52 78.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.298 0.639 . . . . 6.0 110.575 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.25 -43.5 81.76 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.051 -0.976 . . . . 6.0 111.837 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.74 -51.38 62.63 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.03 1.286 . . . . 6.0 110.772 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.59 -35.75 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 120.721 1.6 . . . . 6.0 111.802 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -69.73 -43.4 72.4 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.734 1.152 . . . . 6.0 110.818 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.24 -29.39 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.503 1.121 . . . . 6.0 112.101 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.42 -43.63 18.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.429 1.092 . . . . 6.0 110.461 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.25 -48.97 77.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.795 1.638 . . . . 6.0 111.168 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.17 -31.83 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.355 0.662 . . . . 6.0 111.844 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 383' ' ' HIS . 3.9 tt -82.08 -35.39 28.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.523 1.529 . . . . 6.0 112.017 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.45 -52.09 50.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.088 1.355 . . . . 6.0 109.972 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.43 -38.23 80.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.991 0.517 . . . . 6.0 110.34 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -62.03 -55.98 23.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.545 0.611 . . . . 6.0 110.023 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.06 68.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.477 1.111 . . . . 6.0 113.489 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -67.33 -41.25 85.58 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.113 -0.992 . . . . 6.0 111.629 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -69.12 -36.72 77.81 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.344 -0.847 . . . . 6.0 110.773 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 30.5 t -62.59 -49.31 75.75 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.011 2.125 . . . . 6.0 109.832 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.47 -43.33 93.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.064 1.745 . . . . 6.0 111.731 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -75.64 -43.08 49.57 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.454 1.279 . . . . 6.0 114.454 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -69.95 -22.16 63.19 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.688 1.366 . . . . 6.0 114.688 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.98 -38.41 70.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.885 1.274 . . . . 6.0 112.977 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.04 -17.49 61.43 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.003 1.112 . . . . 6.0 114.003 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -103.05 -8.8 20.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.623 1.569 . . . . 6.0 114.521 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -121.94 145.28 48.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.997 1.319 . . . . 6.0 112.328 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.51 -29.12 68.37 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.891 -0.505 . . . . 6.0 113.151 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.37 154.28 33.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.761 2.024 . . . . 6.0 110.614 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.82 138.42 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.162 1.385 . . . . 6.0 109.426 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -71.46 165.43 23.83 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.4 1.08 . . . . 6.0 113.248 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.02 125.73 27.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.754 0.821 . . . . 6.0 111.343 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 12.0 m -58.93 149.46 27.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.259 1.824 . . . . 6.0 114.744 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.6 m -75.39 -11.17 59.99 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.411 1.085 . . . . 6.0 113.344 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 40.6 mt -118.0 117.24 35.5 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.231 1.812 . . . . 6.0 109.355 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.62 -25.38 24.7 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.936 2.424 . . . . 6.0 114.984 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' A' ' 359' ' ' LEU . 9.2 m80 -69.03 -10.03 55.47 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.12 1.155 . . . . 6.0 114.12 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 50.0 t -50.79 -42.79 58.38 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.001 1.721 . . . . 6.0 111.264 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -56.92 -46.1 82.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.877 1.271 . . . . 6.0 112.671 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 10.8 m -73.94 -40.27 63.19 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.393 1.077 . . . . 6.0 111.874 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.5 tpp -74.29 -37.18 63.75 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.438 0.903 . . . . 6.0 113.438 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -59.57 -30.11 68.42 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.878 -1.764 . . . . 6.0 112.664 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -67.21 -33.68 75.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.429 0.692 . . . . 6.0 111.348 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.34 -42.5 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.279 1.031 . . . . 6.0 109.195 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.68 -38.92 89.58 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.928 -0.483 . . . . 6.0 111.443 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.54 -32.79 72.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.609 0.764 . . . . 6.0 112.092 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.6 -47.42 32.42 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.648 -0.658 . . . . 6.0 109.602 172.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.4 ttp -59.23 -27.32 65.65 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.032 1.493 . . . . 6.0 115.032 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -17.89 55.07 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 121.175 1.807 . . . . 6.0 112.203 175.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -112.56 7.8 19.0 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.079 2.152 . . . . 6.0 113.398 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -129.38 132.06 46.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.271 1.428 . . . . 6.0 112.614 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -149.01 11.61 0.83 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.693 1.197 . . . . 6.0 114.023 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.45 2.18 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.762 2.134 . . . . 6.0 116.762 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.28 -125.47 34.07 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.632 -1.292 . . . . 6.0 113.62 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -74.43 -8.51 56.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.001 1.32 . . . . 6.0 114.359 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.78 72.9 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.01 0.823 . . . . 6.0 112.705 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 10.7 t -70.6 127.77 33.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.553 0.741 . . . . 6.0 110.163 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -88.15 3.29 49.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.458 1.103 . . . . 6.0 113.503 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 64.3 t -78.73 124.27 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.253 1.021 . . . . 6.0 109.161 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.4 -59.83 2.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.923 1.689 . . . . 6.0 114.877 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -81.17 -19.17 43.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.511 1.671 . . . . 6.0 115.511 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.91 -53.37 55.18 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.217 0.917 . . . . 6.0 110.547 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.77 90.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.575 0.954 . . . . 6.0 113.575 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 92.9 p -67.1 -34.37 77.49 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.262 1.392 . . . . 6.0 112.476 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.3 t -69.0 -52.79 25.06 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.504 0.722 . . . . 6.0 109.858 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -55.62 -37.33 68.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.76 1.224 . . . . 6.0 112.533 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.66 -40.6 97.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.84 1.256 . . . . 6.0 111.115 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -47.38 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.046 0.938 . . . . 6.0 110.798 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.8 -41.92 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.774 0.716 . . . . 6.0 111.534 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.3 m -60.74 -37.43 81.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.774 0.716 . . . . 6.0 111.072 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -66.8 -49.54 65.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.812 0.845 . . . . 6.0 109.393 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.75 -38.56 64.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.542 1.537 . . . . 6.0 113.752 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.9 -11.32 60.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.896 1.679 . . . . 6.0 114.749 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -133.09 -21.9 2.07 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.656 2.095 . . . . 6.0 116.656 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.06 146.11 55.44 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.35 1.611 . . . . 6.0 115.35 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.2 p -82.64 61.07 5.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.393 1.877 . . . . 6.0 108.691 172.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -14.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.672 2.789 . . . . 6.0 118.01 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -62.26 -29.26 70.29 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.458 1.503 . . . . 6.0 112.968 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.83 3.0 4.08 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.034 1.865 . . . . 6.0 116.034 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.78 123.74 86.42 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 119.55 1.068 . . . . 6.0 108.344 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.94 -25.65 74.15 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.354 2.702 . . . . 6.0 116.46 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.7 t -90.06 -31.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.671 1.123 . . . . 6.0 111.773 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 34.0 m -76.49 -37.43 56.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.676 1.19 . . . . 6.0 111.679 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.37 -52.18 30.61 Favored Pre-proline 0 CA--C 1.539 0.556 0 C-N-CA 126.278 1.831 . . . . 6.0 115.743 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.54 -36.51 42.7 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 CA-C-N 121.257 1.485 . . . . 6.0 112.625 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.32 -43.74 80.88 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.716 1.144 . . . . 6.0 110.201 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.05 -41.19 71.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.346 1.458 . . . . 6.0 111.089 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -77.57 -46.07 23.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.826 0.85 . . . . 6.0 112.502 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.92 -26.11 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.08 1.141 . . . . 6.0 114.08 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 10.0 t -61.01 -29.13 69.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.41 1.084 . . . . 6.0 112.709 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -89.33 113.52 24.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.481 1.113 . . . . 6.0 110.483 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -90.09 -0.38 57.57 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 N--CA 1.482 1.152 0 C-N-CA 124.556 1.143 . . . . 6.0 112.153 179.64 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 N-CA-C 114.667 0.627 . . . . 6.0 114.667 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 52.2 p -68.87 -35.61 77.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.716 1.258 . . . . 6.0 113.135 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -145.19 149.03 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.105 1.762 . . . . 6.0 111.17 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -153.4 147.71 25.86 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.417 1.487 . . . . 6.0 111.293 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -80.29 -46.15 16.67 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 6.0 112.131 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 21.5 t -161.53 151.1 16.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.801 1.64 . . . . 6.0 110.986 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 28.5 m -101.04 86.85 3.13 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.135 1.374 . . . . 6.0 108.639 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -144.12 151.78 40.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.902 1.281 . . . . 6.0 112.247 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 161.64 23.92 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.856 1.262 . . . . 6.0 112.742 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -163.9 -174.18 33.42 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.974 0.797 . . . . 6.0 114.78 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -122.29 147.43 46.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.027 1.731 . . . . 6.0 110.315 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.01 2.14 57.55 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.303 1.43 . . . . 6.0 115.713 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 38.9 p -69.44 -43.64 72.89 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.018 1.409 . . . . 6.0 112.646 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.81 -38.09 67.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.252 1.021 . . . . 6.0 111.734 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 53.3 p -67.04 -32.21 73.26 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.409 -1.432 . . . . 6.0 111.107 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.36 -42.45 71.81 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.011 -1.055 . . . . 6.0 110.309 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.87 61.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.69 1.196 . . . . 6.0 111.764 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 21.0 tp -79.63 -54.28 6.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.341 1.456 . . . . 6.0 111.751 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.43 -23.01 65.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.56 5.23 43.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 116.161 1.911 . . . . 6.0 116.161 -178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -103.91 168.78 8.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.248 1.419 . . . . 6.0 112.693 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.23 141.85 42.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.804 1.242 . . . . 6.0 111.89 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -119.66 -179.9 4.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.404 1.482 . . . . 6.0 112.767 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.73 54.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 116.552 2.056 . . . . 6.0 116.552 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -53.56 3.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.29 1.436 . . . . 6.0 113.303 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.77 -26.28 44.47 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.507 0.929 . . . . 6.0 113.507 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -149.2 162.69 39.51 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.712 2.805 . . . . 6.0 107.639 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.78 164.91 30.39 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.473 1.657 . . . . 6.0 115.473 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.04 2.41 55.23 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 116.741 2.126 . . . . 6.0 116.741 -177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.73 -23.62 50.8 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.673 -1.267 . . . . 6.0 115.297 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.43 -34.28 63.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.193 1.553 . . . . 6.0 115.193 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -20.92 56.1 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.927 1.24 . . . . 6.0 114.148 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.59 -14.94 58.48 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.101 0.778 . . . . 6.0 113.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.23 172.2 47.39 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.882 1.23 . . . . 6.0 114.002 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.16 -21.46 58.76 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.236 1.198 . . . . 6.0 114.236 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 56.4 m -125.3 142.02 51.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.3 1.44 . . . . 6.0 112.332 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 64.7 p -132.97 173.82 11.0 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.418 1.887 . . . . 6.0 111.309 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -112.67 104.97 56.12 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.993 1.317 . . . . 6.0 111.402 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.57 -18.55 11.88 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.069 3.179 . . . . 6.0 115.697 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.23 -18.86 61.11 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.309 0.959 . . . . 6.0 112.873 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.88 -21.6 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.352 1.461 . . . . 6.0 112.152 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.34 132.81 45.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.802 1.641 . . . . 6.0 112.703 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -162.3 177.34 9.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.557 1.543 . . . . 6.0 110.08 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -73.73 145.56 45.07 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.353 -0.842 . . . . 6.0 109.937 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -39.14 70.85 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.168 -0.957 . . . . 6.0 110.831 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.95 -5.26 11.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.098 1.147 . . . . 6.0 114.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.3 m -120.32 9.75 11.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.46 2.304 . . . . 6.0 113.407 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.56 146.36 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.43 1.492 . . . . 6.0 113.322 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -100.71 104.82 16.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.363 1.465 . . . . 6.0 108.359 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -145.22 18.93 1.57 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 116.535 2.05 . . . . 6.0 116.535 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.5 p -58.55 -20.86 50.09 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -85.21 -25.89 27.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.722 -1.236 . . . . 6.0 111.581 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -32.32 63.89 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.436 1.495 . . . . 6.0 110.422 175.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -51.37 -41.69 60.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.034 1.334 . . . . 6.0 111.326 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -72.91 -32.8 65.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.413 1.485 . . . . 6.0 112.933 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -48.2 63.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.819 1.248 . . . . 6.0 110.295 175.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.55 -11.58 59.87 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.776 1.028 . . . . 6.0 113.776 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.39 -8.27 54.09 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.106 -0.996 . . . . 6.0 111.996 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.63 7.32 15.04 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.74 1.216 . . . . 6.0 114.016 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 179.63 -138.41 3.44 Favored Glycine 0 CA--C 1.533 1.189 0 O-C-N 120.786 -1.196 . . . . 6.0 113.989 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -40.95 119.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.161 1.784 . . . . 6.0 115.118 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.6 p -177.88 -176.05 0.54 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.278 2.631 . . . . 6.0 109.622 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 68.1 mtp -82.92 -23.68 33.41 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.396 -0.815 . . . . 6.0 112.242 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 25.5 p -157.41 126.57 5.89 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.658 1.983 . . . . 6.0 109.956 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -144.47 150.53 37.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.329 1.051 . . . . 6.0 113.433 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 16.4 m -75.82 -27.15 57.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.517 1.127 . . . . 6.0 113.998 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.6 t -155.79 174.5 15.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.38 1.072 . . . . 6.0 112.617 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -135.46 113.67 11.38 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.31 1.844 . . . . 6.0 109.55 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.76 147.12 99.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 124.555 1.142 . . . . 6.0 113.426 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.351 0.685 0 C-N-CA 123.675 2.916 . . . . 6.0 112.594 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.873 1.064 . . . . 6.0 113.873 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 41.8 p -133.67 157.86 44.72 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.405 1.882 . . . . 6.0 112.205 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.66 163.22 54.8 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.109 0.861 . . . . 6.0 114.157 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.12 158.13 55.76 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.891 3.061 . . . . 6.0 113.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 41.6 p -81.55 -15.77 53.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.985 1.314 . . . . 6.0 113.84 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.46 15.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.163 1.785 . . . . 6.0 112.139 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -138.57 154.03 72.97 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 125.172 1.389 . . . . 6.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -87.66 -32.22 0.18 Allowed 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 123.005 2.47 . . . . 6.0 116.071 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -100.0 -51.57 3.66 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.076 1.88 . . . . 6.0 116.076 -173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -38.53 71.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.196 0.907 . . . . 6.0 111.193 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -70.79 -33.71 71.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.36 1.864 . . . . 6.0 113.087 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -77.07 -36.8 55.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.866 1.212 . . . . 6.0 111.247 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.59 -49.72 70.02 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.793 -1.098 . . . . 6.0 110.39 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.99 -35.2 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 121.028 1.74 . . . . 6.0 112.92 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -69.48 -37.77 77.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.912 0.778 . . . . 6.0 110.319 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -68.73 -39.38 80.41 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.66 -0.65 . . . . 6.0 110.579 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.45 -59.04 6.03 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 124.626 1.17 . . . . 6.0 109.814 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.55 -41.74 95.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.128 0.877 . . . . 6.0 111.782 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -27.34 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 119.616 1.098 . . . . 6.0 112.482 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.7 -35.38 20.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.34 1.456 . . . . 6.0 112.111 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.48 -61.45 1.99 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.533 1.933 . . . . 6.0 108.939 175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.47 -28.16 66.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.867 0.867 . . . . 6.0 110.501 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -68.43 -56.14 9.46 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.604 -0.712 . . . . 6.0 110.084 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.55 60.81 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.923 1.238 . . . . 6.0 113.33 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -64.65 -34.72 78.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.963 0.905 . . . . 6.0 112.082 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.07 -27.93 19.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.219 1.808 . . . . 6.0 113.548 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 15.6 t -60.44 -41.77 94.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.084 1.754 . . . . 6.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.4 -19.83 64.64 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.06 -1.025 . . . . 6.0 112.986 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -90.21 -45.87 8.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.257 1.823 . . . . 6.0 113.604 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -57.03 -30.69 64.42 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 114.293 1.22 . . . . 6.0 114.293 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.78 -26.17 66.83 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.959 0.904 . . . . 6.0 112.792 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -90.04 -35.85 15.25 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.282 1.433 . . . . 6.0 110.897 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -73.82 -19.7 60.67 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -123.92 153.48 41.1 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.19 1.396 . . . . 6.0 112.05 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.98 -32.04 66.43 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.397 0.522 . . . . 6.0 113.454 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.19 141.99 31.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.271 1.829 . . . . 6.0 110.396 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.65 152.42 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.197 1.799 . . . . 6.0 111.379 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.2 167.72 9.62 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.216 1.406 . . . . 6.0 112.01 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -69.82 134.56 48.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.483 0.713 . . . . 6.0 111.093 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.42 152.02 45.42 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.264 1.425 . . . . 6.0 113.695 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 16.5 m -80.96 4.66 18.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.568 1.547 . . . . 6.0 114.86 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.6 88.7 35.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 126.572 1.949 . . . . 6.0 108.776 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -52.62 -29.24 40.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 124.06 3.174 . . . . 6.0 116.629 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -70.44 -10.04 58.06 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.102 1.361 . . . . 6.0 114.131 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.83 -43.58 59.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.045 1.738 . . . . 6.0 110.892 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -55.33 -49.4 72.31 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.987 1.315 . . . . 6.0 112.145 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.3 m -68.15 -40.53 82.34 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.228 1.411 . . . . 6.0 111.817 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.7 tpp -73.33 -39.72 65.02 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.147 0.795 . . . . 6.0 113.147 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -55.69 -31.03 62.07 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.588 1.54 . . . . 6.0 113.097 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -66.1 -35.19 79.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.57 0.748 . . . . 6.0 111.395 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.43 -41.3 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.439 1.096 . . . . 6.0 109.153 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.12 -43.09 95.91 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.247 0.476 . . . . 6.0 111.602 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -56.59 -37.42 70.6 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.72 0.808 . . . . 6.0 111.675 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -71.54 -48.49 48.26 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.331 0.586 . . . . 6.0 110.358 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.3 ttp -59.53 -24.21 63.48 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.935 1.457 . . . . 6.0 114.935 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -19.41 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.973 1.715 . . . . 6.0 112.521 176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.77 -30.12 10.6 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.847 1.659 . . . . 6.0 112.75 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.55 137.73 33.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.382 1.473 . . . . 6.0 111.989 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -149.79 8.03 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -88.23 -2.17 58.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.829 1.788 . . . . 6.0 115.829 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 58.79 -115.67 7.56 Favored Glycine 0 CA--C 1.533 1.192 0 O-C-N 121.226 -0.921 . . . . 6.0 114.311 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.33 -20.68 45.32 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.281 1.585 . . . . 6.0 115.281 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.27 -28.87 65.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.884 0.765 . . . . 6.0 112.001 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 19.5 t -75.89 131.25 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.695 1.198 . . . . 6.0 109.951 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -94.43 9.71 37.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.545 1.138 . . . . 6.0 113.325 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.75 121.9 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.362 1.065 . . . . 6.0 108.83 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.57 42.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.87 1.268 . . . . 6.0 114.377 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -78.1 -24.08 47.69 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.902 1.445 . . . . 6.0 114.902 -177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.95 -53.01 61.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.833 1.253 . . . . 6.0 111.172 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.51 73.66 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.323 1.231 . . . . 6.0 114.323 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -68.88 -31.85 71.08 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.87 1.214 . . . . 6.0 113.018 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.6 m -66.57 -49.53 66.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.729 0.695 . . . . 6.0 110.009 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.0 ttm105 -60.4 -37.82 82.05 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.791 0.836 . . . . 6.0 111.927 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -59.8 -37.84 80.26 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.319 1.047 . . . . 6.0 111.846 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.62 -54.66 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 118.688 0.677 . . . . 6.0 110.106 174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.73 -41.82 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.719 0.807 . . . . 6.0 112.014 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.5 t -60.32 -41.56 93.75 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.363 -0.836 . . . . 6.0 111.443 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -66.45 -47.35 73.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.625 -0.672 . . . . 6.0 109.762 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -54.53 -38.95 67.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.27 1.428 . . . . 6.0 113.559 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -77.08 -14.46 59.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.588 1.555 . . . . 6.0 114.468 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -123.0 -17.31 6.76 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.364 1.987 . . . . 6.0 116.364 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 28.8 t -69.77 122.91 20.13 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.919 1.236 . . . . 6.0 111.968 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.4 p -117.43 -3.75 11.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.072 1.749 . . . . 6.0 113.959 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -68.69 133.45 48.43 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.363 1.065 . . . . 6.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -65.31 -31.66 72.91 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.46 1.281 . . . . 6.0 114.46 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -126.16 33.68 4.99 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 116.18 1.919 . . . . 6.0 116.18 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 20.0 t -59.63 125.7 80.61 Favored Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 107.48 -1.304 . . . . 6.0 107.48 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -52.3 -40.21 70.78 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.911 3.074 . . . . 6.0 117.915 -169.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.11 -30.28 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.234 0.925 . . . . 6.0 112.29 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 30.5 m -75.22 -40.35 59.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.858 1.263 . . . . 6.0 112.14 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 66.5 tp -47.38 -51.83 40.4 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 126.797 2.039 . . . . 6.0 115.815 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -62.58 -32.69 79.48 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 CA-C-N 122.175 1.812 . . . . 6.0 113.03 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.65 -30.84 36.56 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.632 0.773 . . . . 6.0 112.338 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -59.83 -26.41 65.77 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.301 1.441 . . . . 6.0 111.199 173.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -95.29 -5.33 43.8 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.925 1.69 . . . . 6.0 113.631 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -79.66 -1.05 36.47 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.354 1.613 . . . . 6.0 115.354 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 29.5 m -66.55 -13.94 61.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.462 1.105 . . . . 6.0 113.935 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -143.96 143.97 31.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.289 1.836 . . . . 6.0 109.903 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.29 -15.06 62.4 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.624 1.342 . . . . 6.0 114.624 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 126.526 1.931 . . . . 6.0 111.631 179.233 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 114.928 0.731 . . . . 6.0 114.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 48.6 m -67.55 150.2 49.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.14 1.376 . . . . 6.0 113.228 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.1 156.57 38.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.373 1.069 . . . . 6.0 111.987 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 99.1 mmm -65.34 139.84 58.61 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.859 0.863 . . . . 6.0 111.23 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -88.22 -15.66 35.35 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.021 1.489 . . . . 6.0 115.021 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 45.2 m -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.567 1.547 . . . . 6.0 112.08 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 24.0 m -60.2 131.81 51.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.862 1.265 . . . . 6.0 110.939 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.51 156.77 26.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.778 0.831 . . . . 6.0 112.767 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 165.02 25.89 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.613 1.165 . . . . 6.0 113.582 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.2 -174.23 30.75 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.849 1.214 . . . . 6.0 114.67 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -78.08 -3.4 42.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.483 1.66 . . . . 6.0 115.483 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.99 17.93 80.23 Favored Glycine 0 CA--C 1.539 1.578 0 O-C-N 121.11 -0.994 . . . . 6.0 114.348 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.9 t -145.5 152.18 39.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.927 2.091 . . . . 6.0 109.711 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.477 HD22 ' C ' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -70.58 -18.76 62.9 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 -179.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 56.3 m -58.54 -9.92 1.92 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.227 1.566 . . . . 6.0 115.227 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.37 -17.96 33.08 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.589 1.156 . . . . 6.0 111.26 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -49.51 -37.56 27.14 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.124 1.77 . . . . 6.0 112.686 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.14 -15.4 61.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.589 1.7 . . . . 6.0 115.589 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.15 -21.98 12.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.717 1.207 . . . . 6.0 112.54 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -29.83 27.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.546 1.138 . . . . 6.0 112.795 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 90.4 mt -109.36 158.61 17.74 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.327 1.451 . . . . 6.0 111.017 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -71.41 109.67 5.54 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.759 -0.588 . . . . 6.0 109.598 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -84.45 179.13 7.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.412 1.085 . . . . 6.0 113.809 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.45 8.07 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 129.485 3.114 . . . . 6.0 116.085 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -86.27 -29.79 22.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.156 1.383 . . . . 6.0 112.566 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -81.38 -34.75 31.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.928 0.891 . . . . 6.0 113.228 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.42 157.16 38.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.847 2.459 . . . . 6.0 108.387 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -146.07 161.04 41.03 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.549 1.685 . . . . 6.0 115.549 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.03 6.76 40.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.789 2.436 . . . . 6.0 117.527 -175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.28 -33.06 2.82 Favored Glycine 0 CA--C 1.54 1.614 0 N-CA-C 118.057 1.983 . . . . 6.0 118.057 -173.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.22 51.98 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.608 1.707 . . . . 6.0 115.608 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.425 HD22 ' O ' ' B' ' 452' ' ' LEU 0.259 0.0 OUTLIER -72.85 -25.67 61.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.928 1.24 . . . . 6.0 114.145 -176.462 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.08 -18.69 63.66 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.784 0.72 . . . . 6.0 112.69 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 98.83 -168.73 22.65 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.967 1.27 . . . . 6.0 114.104 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -75.82 -20.12 58.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.329 1.052 . . . . 6.0 113.814 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 69.5 m -131.46 168.63 17.3 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.994 1.718 . . . . 6.0 111.941 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 37.4 p -146.51 177.57 8.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.649 1.979 . . . . 6.0 110.008 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -117.95 87.45 28.06 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.554 1.141 . . . . 6.0 111.921 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.59 -21.62 19.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.648 2.899 . . . . 6.0 114.833 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.94 -23.24 69.27 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 121.457 -0.777 . . . . 6.0 113.313 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -10.58 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.242 1.417 . . . . 6.0 112.545 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -64.8 129.44 39.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.788 1.235 . . . . 6.0 110.831 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.2 t -159.66 179.96 8.41 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.296 1.039 . . . . 6.0 111.487 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.95 137.13 43.37 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.483 1.113 . . . . 6.0 109.327 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -35.63 44.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.751 1.221 . . . . 6.0 112.828 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.02 -13.51 61.99 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.027 1.121 . . . . 6.0 114.027 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.6 m -108.86 9.95 26.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.714 2.005 . . . . 6.0 113.973 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.5 t -58.55 139.54 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.063 1.345 . . . . 6.0 113.267 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -92.28 69.93 5.18 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.448 1.499 . . . . 6.0 111.882 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -105.77 16.48 25.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.87 2.174 . . . . 6.0 116.87 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 35.5 p -57.46 -21.17 35.38 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.505 1.669 . . . . 6.0 115.505 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.43 -25.19 21.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.146 0.978 . . . . 6.0 112.744 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -44.12 76.85 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.006 -1.059 . . . . 6.0 111.066 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -55.58 -22.65 23.0 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.488 0.921 . . . . 6.0 113.488 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -67.34 -30.4 70.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.163 0.892 . . . . 6.0 112.33 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -26.64 20.23 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.987 0.812 . . . . 6.0 112.265 174.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.88 -16.06 45.8 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.918 0.887 . . . . 6.0 113.275 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.32 -20.19 27.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.036 1.335 . . . . 6.0 113.253 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -65.73 -13.52 59.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.557 1.543 . . . . 6.0 113.714 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 80.92 156.05 13.48 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.503 1.525 . . . . 6.0 116.264 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.65 159.7 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.86 2.064 . . . . 6.0 112.508 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 50.1 m -79.88 140.81 36.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.196 0.598 . . . . 6.0 110.542 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 30.2 tpp -71.7 148.23 46.63 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.727 -0.608 . . . . 6.0 111.361 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.2 m -53.64 138.2 35.33 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.082 1.353 . . . . 6.0 114.505 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -145.53 154.43 42.19 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.566 1.546 . . . . 6.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 17.6 m -78.93 45.12 0.59 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.061 1.744 . . . . 6.0 114.059 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 21.7 m -64.68 123.31 18.99 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.475 1.11 . . . . 6.0 110.99 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.7 -24.42 38.85 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.034 1.494 . . . . 6.0 115.034 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -90.44 137.02 27.66 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.63 1.172 . . . . 6.0 111.364 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.433 . . . . 6.0 111.671 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.638 0.977 . . . . 6.0 113.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 39.7 p -76.05 -20.06 58.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.261 1.425 . . . . 6.0 113.795 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -176.51 74.59 0.08 OUTLIER Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.82 1.2 . . . . 6.0 112.932 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.58 154.09 56.75 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.928 3.085 . . . . 6.0 114.163 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.3 p -74.87 -25.21 58.81 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.366 1.066 . . . . 6.0 113.08 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -151.43 161.67 42.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.968 2.107 . . . . 6.0 110.269 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -140.4 149.77 58.73 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.403 1.081 . . . . 6.0 111.997 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.35 -25.45 49.16 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.204 2.603 . . . . 6.0 114.622 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.29 -42.94 71.38 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.715 1.143 . . . . 6.0 111.42 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -37.36 84.55 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.213 -0.898 . . . . 6.0 110.704 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -67.04 -47.2 72.08 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 118.675 -0.678 . . . . 6.0 111.44 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -64.78 -35.06 79.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.504 1.047 . . . . 6.0 111.072 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -57.09 6.32 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 117.115 -1.421 . . . . 6.0 110.957 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.8 pt -56.29 -36.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.842 2.11 . . . . 6.0 112.311 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -67.67 -38.75 84.19 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.788 -0.57 . . . . 6.0 111.866 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -79.87 -29.55 40.04 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.845 1.202 . . . . 6.0 111.877 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -41.1 96.47 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 120.712 -1.242 . . . . 6.0 108.403 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . 0.26 3.3 pp -73.29 -35.89 66.22 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.314 -0.851 . . . . 6.0 111.634 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.78 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-N 120.303 1.41 . . . . 6.0 110.863 175.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 383' ' ' HIS . 0.8 OUTLIER -84.24 -35.27 23.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.956 1.703 . . . . 6.0 113.097 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 22.2 mt -65.71 -51.48 58.97 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.698 0.799 . . . . 6.0 109.322 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.91 -31.54 71.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.835 0.854 . . . . 6.0 110.78 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -64.68 -59.48 4.21 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.069 -0.715 . . . . 6.0 109.069 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -54.13 -40.48 67.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.712 1.205 . . . . 6.0 113.652 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -64.29 -35.72 81.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.234 -0.916 . . . . 6.0 112.745 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -85.73 -26.54 25.82 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.938 0.79 . . . . 6.0 111.719 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.3 t -62.11 -45.65 92.52 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.802 1.641 . . . . 6.0 109.005 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.57 -27.03 65.89 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.326 1.851 . . . . 6.0 112.645 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -89.62 -29.61 18.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.149 1.379 . . . . 6.0 113.597 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -79.77 -33.45 40.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.685 1.13 . . . . 6.0 112.668 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.25 -23.51 62.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.255 0.934 . . . . 6.0 113.38 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -88.89 -9.98 49.6 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.951 0.901 . . . . 6.0 112.022 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.17 -21.73 13.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.164 1.786 . . . . 6.0 114.271 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -126.04 150.69 47.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.594 1.558 . . . . 6.0 112.164 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.76 -27.1 69.76 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 123.549 0.595 . . . . 6.0 113.879 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -141.99 147.53 37.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.427 1.891 . . . . 6.0 110.483 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.24 143.18 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.286 1.434 . . . . 6.0 110.162 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -71.55 167.95 18.62 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.934 1.293 . . . . 6.0 113.105 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.08 51.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.441 0.696 . . . . 6.0 112.257 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.09 146.78 53.59 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.7 1.2 . . . . 6.0 113.609 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.8 p -83.42 -5.5 59.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.392 . . . . 6.0 112.63 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.01 95.65 21.66 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.775 2.03 . . . . 6.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -49.48 -32.59 27.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.836 3.691 . . . . 6.0 117.185 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . 0.45 ' HB3' HD11 ' B' ' 476' ' ' LEU . 58.9 m-70 -62.68 -9.89 10.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.3 t -50.1 -42.03 49.54 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.334 1.454 . . . . 6.0 111.274 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.91 -35.39 74.77 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.897 -1.127 . . . . 6.0 113.609 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 3.6 m -82.04 -41.39 20.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.135 1.374 . . . . 6.0 111.091 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.6 tpp -74.75 -35.9 62.6 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.757 1.021 . . . . 6.0 113.757 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.69 -32.26 68.99 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 120.087 -1.633 . . . . 6.0 112.571 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.16 -31.85 71.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.675 0.79 . . . . 6.0 111.514 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.51 -43.54 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.644 0.778 . . . . 6.0 109.218 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 395' ' ' THR . 10.6 mt -57.78 -44.69 86.41 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.183 0.447 . . . . 6.0 111.154 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.46 -36.68 66.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.62 0.768 . . . . 6.0 112.41 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -73.79 -50.57 19.9 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.554 0.616 . . . . 6.0 110.276 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 41.6 ttp -58.01 -28.79 64.77 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.047 1.499 . . . . 6.0 115.047 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.524 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -62.75 -15.58 53.92 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.145 1.793 . . . . 6.0 112.805 177.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -112.45 5.17 17.91 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.009 2.124 . . . . 6.0 113.509 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 11.4 t -129.96 135.58 48.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.956 1.302 . . . . 6.0 114.042 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.12 30.68 0.44 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.65 1.58 . . . . 6.0 112.723 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -78.0 19.93 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.932 1.693 . . . . 6.0 114.831 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -121.37 26.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 121.12 -0.987 . . . . 6.0 112.241 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -94.86 0.07 54.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.274 1.43 . . . . 6.0 113.651 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.15 63.19 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.668 0.667 . . . . 6.0 112.339 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.28 124.99 25.01 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.01 0.924 . . . . 6.0 109.726 176.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -89.48 3.48 52.23 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.441 1.097 . . . . 6.0 113.899 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.84 121.91 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.843 0.857 . . . . 6.0 109.061 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -34.51 -49.85 0.41 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.733 2.413 . . . . 6.0 116.753 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.89 5.59 20.62 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.914 1.82 . . . . 6.0 115.914 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -75.08 -62.36 1.58 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.56 1.527 . . . . 6.0 110.948 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.92 -35.43 71.06 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.573 0.953 . . . . 6.0 113.573 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.5 p -74.15 -36.33 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.163 0.892 . . . . 6.0 112.273 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.1 m -68.46 -39.7 81.31 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.6 -0.688 . . . . 6.0 110.615 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -58.53 -35.98 73.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.553 1.141 . . . . 6.0 111.82 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -50.47 72.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.418 1.087 . . . . 6.0 110.321 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.7 mm -53.95 -55.32 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.953 0.901 . . . . 6.0 110.493 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.53 -42.95 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.606 0.762 . . . . 6.0 111.34 -176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.8 m -61.95 -38.0 86.85 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.742 0.701 . . . . 6.0 111.701 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.49 -48.37 67.33 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.667 0.667 . . . . 6.0 109.611 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -38.67 69.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.59 1.556 . . . . 6.0 113.368 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.08 -13.67 61.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.442 1.497 . . . . 6.0 114.213 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -126.03 -21.81 4.25 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 116.25 1.944 . . . . 6.0 116.25 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.41 126.0 28.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.852 1.206 . . . . 6.0 112.815 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.5 p -120.09 -9.55 9.57 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.167 1.787 . . . . 6.0 114.095 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -72.93 121.81 20.65 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.762 1.225 . . . . 6.0 111.343 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -65.03 -34.4 78.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.724 -0.61 . . . . 6.0 112.613 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.0 14.84 11.23 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.932 2.093 . . . . 6.0 115.082 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 17.6 t -63.77 124.91 86.44 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.847 1.203 . . . . 6.0 108.919 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -57.36 -30.7 88.77 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.263 2.642 . . . . 6.0 116.376 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.02 -36.08 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.526 1.057 . . . . 6.0 111.952 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 15.5 m -78.61 -31.96 47.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.732 1.613 . . . . 6.0 114.074 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.14 -49.87 73.08 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.778 1.631 . . . . 6.0 114.949 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -65.34 -38.32 27.09 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 CA-C-N 122.188 1.817 . . . . 6.0 113.025 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.245 1.018 . . . . 6.0 110.86 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -56.87 -36.17 69.75 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.896 1.678 . . . . 6.0 111.91 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.05 -41.43 20.63 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.619 1.168 . . . . 6.0 112.342 175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -68.99 -16.5 63.75 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.968 1.307 . . . . 6.0 114.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 72.4 m -63.85 -13.96 49.15 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.589 1.329 . . . . 6.0 114.589 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -141.38 146.75 37.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 6.0 111.599 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.26 18.9 21.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.285 1.434 . . . . 6.0 113.207 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 . . . . . 0 N--CA 1.481 1.078 0 C-N-CA 125.128 1.371 . . . . 6.0 112.277 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.322 0 N-CA-C 113.862 0.305 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.4 t -155.94 156.12 33.99 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.467 1.107 . . . . 6.0 112.475 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -75.05 118.89 18.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.099 1.36 . . . . 6.0 110.862 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 26.1 mmt -134.97 135.24 41.29 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.201 1.401 . . . . 6.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.53 -1.47 22.97 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.284 1.433 . . . . 6.0 114.429 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 42.6 m -85.48 156.35 20.84 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.29 1.436 . . . . 6.0 112.923 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 18.2 m -66.82 135.67 54.27 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.225 1.01 . . . . 6.0 111.788 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -139.24 122.23 16.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.394 1.077 . . . . 6.0 113.015 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.15 59.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.258 1.207 . . . . 6.0 114.258 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.05 -128.54 30.47 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.029 1.299 . . . . 6.0 113.083 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -127.04 12.03 7.13 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.057 1.743 . . . . 6.0 111.88 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -95.38 -161.38 33.77 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.603 1.573 . . . . 6.0 115.715 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 12.6 t -154.57 171.87 18.75 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.338 2.255 . . . . 6.0 109.534 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.61 -40.93 84.68 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.846 -1.159 . . . . 6.0 112.825 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.1 p -71.04 -13.8 62.11 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.862 -1.149 . . . . 6.0 113.296 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.04 -27.5 19.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 6.0 110.548 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' B' ' 440' ' ' HIS . . . -51.98 -37.65 53.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.428 1.091 . . . . 6.0 111.378 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.81 -38.07 80.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.383 2.673 . . . . 6.0 113.585 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -83.73 -13.12 54.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' B' ' 437' ' ' ALA . 54.7 m-70 -71.61 -22.27 61.73 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.544 1.683 . . . . 6.0 115.544 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . 0.441 HD23 ' H ' ' B' ' 441' ' ' LEU . 2.5 pt? -132.89 168.65 18.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.155 1.382 . . . . 6.0 114.493 -172.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 157.95 15.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.046 1.738 . . . . 6.0 111.937 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -112.49 -179.65 3.73 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.781 1.632 . . . . 6.0 113.322 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 47.41 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.874 2.546 . . . . 6.0 117.874 -173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.03 -40.17 7.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.222 1.809 . . . . 6.0 111.635 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -80.58 -32.04 36.65 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.43 1.092 . . . . 6.0 113.362 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -147.57 156.06 42.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 128.453 2.701 . . . . 6.0 107.508 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -150.43 158.94 44.72 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.945 1.461 . . . . 6.0 114.945 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.15 8.62 31.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.279 2.232 . . . . 6.0 116.457 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.41 -34.08 25.82 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.805 1.184 . . . . 6.0 116.054 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.93 -9.33 49.25 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.524 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.091 -1.006 . . . . 6.0 113.131 -177.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.8 -17.39 64.6 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 118.793 0.724 . . . . 6.0 111.999 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.64 -166.72 12.18 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.319 1.914 . . . . 6.0 113.072 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.46 -24.18 64.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.97 0.908 . . . . 6.0 113.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 165.62 29.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.082 1.753 . . . . 6.0 111.947 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 50.9 p -121.6 171.53 8.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.931 1.692 . . . . 6.0 111.619 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -116.82 96.46 48.74 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.625 1.17 . . . . 6.0 112.001 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -53.88 -16.88 9.52 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 124.15 3.233 . . . . 6.0 115.422 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.48 61.32 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 119.484 1.038 . . . . 6.0 112.425 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.61 -11.79 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.441 1.496 . . . . 6.0 112.144 175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -76.87 115.82 16.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.126 0.97 . . . . 6.0 110.164 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.3 t -152.03 176.68 11.26 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.538 1.535 . . . . 6.0 110.458 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.04 130.92 44.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.742 0.817 . . . . 6.0 110.496 178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.96 -32.11 69.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.287 1.035 . . . . 6.0 113.573 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.33 -8.2 55.45 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.038 -1.039 . . . . 6.0 112.846 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 48.7 m -105.31 3.37 29.82 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.515 1.926 . . . . 6.0 113.185 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.8 t -53.7 134.83 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.058 1.743 . . . . 6.0 111.985 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -95.1 70.04 3.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.254 1.422 . . . . 6.0 110.832 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -102.81 17.2 24.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.752 1.621 . . . . 6.0 114.447 -178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 23.9 m -42.95 -41.04 3.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.13 1.772 . . . . 6.0 115.665 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.18 -31.83 44.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.215 -0.928 . . . . 6.0 112.613 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -38.31 81.78 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.843 0.857 . . . . 6.0 109.702 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -58.31 -40.01 80.9 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.878 -0.514 . . . . 6.0 111.276 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.52 -30.08 70.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.146 0.978 . . . . 6.0 113.052 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 383' ' ' HIS . 0.1 OUTLIER -72.05 -47.7 49.73 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.336 1.454 . . . . 6.0 110.017 175.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.84 -25.58 53.34 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.311 0.856 . . . . 6.0 113.311 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.61 -15.28 50.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.738 1.215 . . . . 6.0 112.538 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -67.83 -8.47 36.36 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.738 0.815 . . . . 6.0 112.876 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 101.84 135.28 8.77 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.296 1.903 . . . . 6.0 116.312 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 8.2 m -100.34 165.64 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.974 2.11 . . . . 6.0 111.265 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 54.2 m -102.23 157.46 16.88 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.827 0.851 . . . . 6.0 112.89 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -114.97 138.59 50.66 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.585 1.554 . . . . 6.0 108.897 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 12.1 t -105.02 134.17 48.58 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.498 1.119 . . . . 6.0 112.569 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -141.06 144.54 35.01 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.366 1.466 . . . . 6.0 110.694 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 19.5 m -57.63 -25.0 59.48 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.291 1.219 . . . . 6.0 114.291 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 25.1 p -65.5 -19.47 65.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.383 1.473 . . . . 6.0 113.638 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -83.51 -10.43 58.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.397 1.079 . . . . 6.0 113.474 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.44 143.7 27.15 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 125.149 1.38 . . . . 6.0 112.619 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 CA--C 1.537 0.669 0 C-N-CA 123.459 2.773 . . . . 6.0 112.396 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.769 1.025 . . . . 6.0 113.769 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 32.3 p -132.18 151.01 52.02 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.186 1.794 . . . . 6.0 112.2 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.13 168.08 54.84 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 124.228 0.918 . . . . 6.0 114.67 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.91 166.18 28.64 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.313 3.342 . . . . 6.0 113.269 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 11.5 t -64.18 -27.47 69.09 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.243 1.017 . . . . 6.0 113.139 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -141.72 146.46 36.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.247 1.819 . . . . 6.0 110.132 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.08 131.2 93.32 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 123.484 0.714 . . . . 6.0 112.37 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.04 -40.93 14.56 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.153 2.569 . . . . 6.0 114.016 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.61 -33.2 70.77 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.724 -1.235 . . . . 6.0 111.822 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -62.11 -46.49 88.84 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.501 -0.925 . . . . 6.0 108.501 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -59.69 -39.7 85.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.294 1.437 . . . . 6.0 111.141 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -65.52 -40.28 92.8 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 117.581 -1.199 . . . . 6.0 111.646 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -48.37 63.32 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.78 1.627 . . . . 6.0 111.579 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.73 -32.87 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 120.98 1.718 . . . . 6.0 111.811 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -75.21 -30.66 60.68 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.053 -1.03 . . . . 6.0 111.46 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -69.73 -37.83 76.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.836 1.254 . . . . 6.0 109.261 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -60.74 -49.62 76.76 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.394 -0.965 . . . . 6.0 108.394 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.03 -56.12 23.37 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.801 0.84 . . . . 6.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -31.09 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 113.273 0.842 . . . . 6.0 113.273 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.99 -37.97 13.96 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.266 1.426 . . . . 6.0 114.164 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.66 -55.0 14.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.541 1.136 . . . . 6.0 109.928 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 79.9 mt -59.15 -27.9 66.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.215 0.606 . . . . 6.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -70.13 -58.19 4.08 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.517 0.727 . . . . 6.0 110.037 171.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.41 50.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.542 1.137 . . . . 6.0 113.961 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -70.24 -33.05 71.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.362 -0.836 . . . . 6.0 113.158 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -90.13 -30.17 17.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.042 1.337 . . . . 6.0 112.669 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 20.4 t -57.56 -46.07 84.38 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.0 1.72 . . . . 6.0 111.536 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.3 -14.64 63.14 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.909 1.077 . . . . 6.0 113.909 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -90.07 -43.17 10.67 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.503 1.521 . . . . 6.0 111.714 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -63.89 -32.49 74.03 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.01 0.744 . . . . 6.0 113.01 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.6 -18.56 64.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.21 0.914 . . . . 6.0 113.115 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -90.06 -35.11 15.66 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.068 1.347 . . . . 6.0 110.537 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -77.0 -39.41 50.47 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.812 1.245 . . . . 6.0 114.019 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -105.89 155.13 19.64 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.842 1.657 . . . . 6.0 112.594 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.67 -27.0 71.78 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.805 0.717 . . . . 6.0 114.717 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -152.22 153.34 33.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.862 1.665 . . . . 6.0 111.329 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 14.8 t -142.05 142.43 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.938 1.295 . . . . 6.0 110.764 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -75.98 169.34 18.36 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.773 1.629 . . . . 6.0 112.474 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -76.07 146.09 39.64 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.835 0.854 . . . . 6.0 112.74 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.8 m -76.11 153.22 36.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.2 1.4 . . . . 6.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 61.9 p -82.58 -6.33 59.29 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.598 1.159 . . . . 6.0 112.129 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 51.2 mt -112.85 96.21 36.81 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 126.715 2.006 . . . . 6.0 110.058 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -56.58 -24.45 53.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.569 2.846 . . . . 6.0 115.109 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -73.02 -9.88 59.21 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.132 1.773 . . . . 6.0 114.219 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 49.7 t -46.06 -56.04 6.12 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.378 1.871 . . . . 6.0 112.67 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -65.63 -38.67 90.04 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.098 -1.001 . . . . 6.0 113.261 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.3 m -61.81 -40.88 96.8 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.378 1.071 . . . . 6.0 110.926 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.5 tpp -78.87 -36.39 42.27 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.5 0.72 . . . . 6.0 112.35 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -53.91 -35.02 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.704 -1.248 . . . . 6.0 112.518 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.98 -34.9 79.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.49 0.716 . . . . 6.0 111.679 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.28 -41.46 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.905 0.882 . . . . 6.0 109.469 173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.17 -43.87 87.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.359 0.527 . . . . 6.0 110.734 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -56.65 -38.4 72.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.822 0.849 . . . . 6.0 112.352 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -70.91 -49.85 41.34 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.591 0.632 . . . . 6.0 110.159 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.408 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.9 ttp -57.13 -30.32 64.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.729 1.612 . . . . 6.0 114.772 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 452' ' ' LEU . 0.5 OUTLIER -63.01 -17.46 62.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.913 1.688 . . . . 6.0 112.812 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -110.59 7.6 22.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.077 2.151 . . . . 6.0 113.507 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.48 137.54 52.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.371 1.468 . . . . 6.0 112.548 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -147.56 15.27 1.11 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.196 1.399 . . . . 6.0 113.954 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -74.47 12.66 0.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.853 1.797 . . . . 6.0 115.853 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -114.91 7.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 121.027 -1.046 . . . . 6.0 112.69 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -95.49 -4.85 44.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.317 1.447 . . . . 6.0 113.602 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.49 63.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.011 0.823 . . . . 6.0 112.409 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 21.2 t -67.42 122.69 18.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.921 0.889 . . . . 6.0 108.89 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -83.5 4.93 25.79 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.792 1.034 . . . . 6.0 113.792 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 83.0 t -75.33 118.97 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.112 -1.07 . . . . 6.0 108.112 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.56 7.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.729 1.611 . . . . 6.0 115.174 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -85.7 -15.64 41.61 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 51.3 t -67.55 -56.51 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.205 1.402 . . . . 6.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.3 77.77 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.364 1.246 . . . . 6.0 114.364 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -79.15 -35.37 42.13 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.403 -0.811 . . . . 6.0 112.696 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.7 m -66.46 -42.14 87.99 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.004 0.82 . . . . 6.0 110.461 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -60.01 -33.19 71.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.831 0.853 . . . . 6.0 112.035 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -49.89 75.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.937 0.79 . . . . 6.0 110.404 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 39.4 mm -53.23 -54.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.108 0.963 . . . . 6.0 110.538 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.83 -42.94 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.548 1.139 . . . . 6.0 111.583 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.6 t -60.98 -42.51 98.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.554 -0.716 . . . . 6.0 111.247 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.97 -46.9 82.57 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.842 -0.537 . . . . 6.0 109.765 175.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -37.46 70.07 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.71 1.204 . . . . 6.0 113.714 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -74.14 -9.37 58.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 6.0 114.139 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -124.6 -26.64 3.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.099 1.518 . . . . 6.0 115.099 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 26.6 t -76.67 113.35 14.21 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 6.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.2 p -119.14 -14.99 9.27 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.457 1.503 . . . . 6.0 114.432 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER -73.18 156.81 38.21 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.096 0.958 . . . . 6.0 112.497 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.69 5.68 51.15 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.233 1.568 . . . . 6.0 115.233 -174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.97 13.31 13.02 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.71 2.115 . . . . 6.0 116.71 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.02 124.57 90.95 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-N 119.643 1.111 . . . . 6.0 108.505 176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.4 -26.88 47.64 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.122 2.548 . . . . 6.0 115.7 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.05 -33.56 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.009 0.822 . . . . 6.0 111.952 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.59 -38.34 40.29 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.5 1.52 . . . . 6.0 114.041 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.72 -50.63 32.63 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 115.022 1.49 . . . . 6.0 115.022 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.98 -48.28 17.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.385 2.056 . . . . 6.0 113.345 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.66 -38.52 91.27 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.449 1.022 . . . . 6.0 111.149 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.35 -35.87 80.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.53 1.532 . . . . 6.0 113.105 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -96.06 -35.65 11.29 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.4 1.63 . . . . 6.0 115.4 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.15 -8.64 17.89 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.572 1.693 . . . . 6.0 115.572 -175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 61.9 p -69.54 -12.6 61.78 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.595 1.158 . . . . 6.0 112.606 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -122.62 155.11 37.01 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.498 2.319 . . . . 6.0 110.555 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -57.45 -24.2 54.27 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.769 1.766 . . . . 6.0 115.769 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.162 1.785 . . . . 6.0 111.595 179.431 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 CA-C-O 121.307 0.393 . . . . 6.0 114.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 37.6 m -65.38 148.28 51.98 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 6.0 113.081 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -83.84 -3.63 58.03 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.592 1.33 . . . . 6.0 114.592 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.2 ttm -76.19 130.98 39.05 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.487 1.115 . . . . 6.0 111.895 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -112.27 -19.1 12.35 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.103 1.52 . . . . 6.0 115.103 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 58.4 m -133.85 115.95 15.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.99 1.316 . . . . 6.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 39.5 p -96.28 -24.6 16.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.206 1.402 . . . . 6.0 114.439 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -141.41 150.13 41.95 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.679 1.192 . . . . 6.0 112.363 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.03 158.95 42.75 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.711 1.605 . . . . 6.0 111.717 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -77.14 175.5 53.97 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.189 0.899 . . . . 6.0 113.685 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -87.52 122.18 30.9 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.751 1.221 . . . . 6.0 110.402 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -88.8 -164.97 40.83 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 126.108 1.814 . . . . 6.0 114.582 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.3 t -137.52 161.3 36.77 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.81 1.644 . . . . 6.0 110.006 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.36 -43.38 74.99 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.654 1.182 . . . . 6.0 112.515 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 67.9 p -65.71 -23.09 66.68 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.376 -1.453 . . . . 6.0 113.064 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.02 -40.9 26.84 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.448 -0.783 . . . . 6.0 109.84 172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.81 -36.11 64.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.214 1.006 . . . . 6.0 111.216 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.88 -25.63 59.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.954 2.102 . . . . 6.0 113.732 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 75.9 mt -103.95 -10.23 18.29 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.851 1.426 . . . . 6.0 114.851 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.28 14.74 15.85 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 18.6 tp -136.51 166.69 22.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.162 1.385 . . . . 6.0 112.689 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -100.66 144.52 29.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.22 1.408 . . . . 6.0 111.382 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.62 -179.92 3.77 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.356 1.463 . . . . 6.0 112.718 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -70.5 37.6 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 116.572 2.064 . . . . 6.0 116.572 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -90.73 -35.89 14.63 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.398 1.479 . . . . 6.0 111.912 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.96 -37.33 29.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 6.0 113.077 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -149.52 161.84 41.33 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 128.383 2.673 . . . . 6.0 108.528 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.2 166.09 28.05 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.297 1.592 . . . . 6.0 115.297 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.03 9.1 29.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.117 2.567 . . . . 6.0 116.637 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.81 5.05 Favored Glycine 0 CA--C 1.537 1.442 0 N-CA-C 117.704 1.842 . . . . 6.0 117.704 -171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.94 -8.8 50.93 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.054 1.501 . . . . 6.0 115.054 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -71.4 -29.8 65.34 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.007 1.114 . . . . 6.0 114.007 -176.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.14 -10.95 55.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 119.119 0.872 . . . . 6.0 112.449 177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.69 -168.37 13.96 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.135 1.826 . . . . 6.0 113.044 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -66.56 -27.16 67.52 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.809 0.844 . . . . 6.0 113.137 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.4 p -150.31 160.39 43.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.159 1.783 . . . . 6.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 23.2 m -126.7 136.23 52.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.186 1.394 . . . . 6.0 109.927 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.58 111.71 11.34 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.019 1.328 . . . . 6.0 114.179 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -58.67 -15.88 27.94 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.309 2.673 . . . . 6.0 114.553 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.15 -18.93 58.7 Favored Glycine 0 CA--C 1.543 1.829 0 O-C-N 121.35 -0.844 . . . . 6.0 112.398 172.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -9.27 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.788 1.635 . . . . 6.0 112.116 174.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.1 120.49 24.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.923 0.889 . . . . 6.0 111.416 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.5 t -155.36 173.37 16.74 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.965 1.706 . . . . 6.0 109.847 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.02 135.14 47.64 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.478 -0.764 . . . . 6.0 109.878 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.64 -31.66 66.5 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.387 0.884 . . . . 6.0 113.387 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.77 -14.56 63.1 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.99 -1.069 . . . . 6.0 113.185 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 42.4 m -105.48 8.18 33.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.641 1.976 . . . . 6.0 113.863 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.68 143.1 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.377 1.471 . . . . 6.0 112.638 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -100.2 69.97 1.52 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.015 1.326 . . . . 6.0 110.736 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -100.9 13.39 35.24 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.038 1.496 . . . . 6.0 115.038 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 21.6 m -46.55 -34.09 4.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.227 1.811 . . . . 6.0 115.516 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -85.64 -29.08 24.32 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.811 0.844 . . . . 6.0 112.795 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -39.79 83.58 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.386 1.075 . . . . 6.0 109.996 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.0 -32.08 61.51 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.334 -0.853 . . . . 6.0 112.49 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -66.12 -31.33 72.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.86 0.864 . . . . 6.0 113.117 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.61 -30.33 21.89 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.724 0.693 . . . . 6.0 111.87 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.9 mt -82.12 -18.69 42.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.734 0.814 . . . . 6.0 113.009 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.23 -18.55 27.12 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.261 1.424 . . . . 6.0 112.83 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -63.21 -15.98 58.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.041 1.336 . . . . 6.0 113.054 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 81.92 160.17 25.97 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.565 1.555 . . . . 6.0 115.847 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.53 158.59 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.846 2.058 . . . . 6.0 111.228 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -98.92 146.97 25.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.624 1.17 . . . . 6.0 112.84 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 21.5 mtt -70.93 -31.76 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.319 0.859 . . . . 6.0 113.319 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 -179.91 8.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.94 1.696 . . . . 6.0 111.682 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.45 145.55 51.38 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.875 1.67 . . . . 6.0 113.204 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 81.3 p -147.49 167.11 25.27 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.809 1.643 . . . . 6.0 112.035 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 31.5 m -62.4 139.18 58.56 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.446 1.098 . . . . 6.0 112.231 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.59 154.74 47.54 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.751 1.621 . . . . 6.0 111.284 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.49 149.75 70.31 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.262 1.425 . . . . 6.0 111.714 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 C-N-CA 123.549 2.833 . . . . 6.0 112.385 179.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 112.839 0.681 . . . . 6.0 112.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 27.2 p -78.52 -16.23 57.72 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.945 1.298 . . . . 6.0 114.218 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.25 -177.48 48.58 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 124.745 1.164 . . . . 6.0 114.785 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.26 163.81 36.96 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.944 3.096 . . . . 6.0 112.861 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 33.6 p -70.49 -22.12 62.69 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.587 1.155 . . . . 6.0 113.342 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.69 157.14 43.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.992 2.117 . . . . 6.0 109.904 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.94 151.87 86.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 121.442 -0.786 . . . . 6.0 112.744 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.39 -22.51 74.18 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.933 2.422 . . . . 6.0 112.968 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.95 -30.66 70.85 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.112 -0.992 . . . . 6.0 111.359 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -39.99 80.46 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.428 0.691 . . . . 6.0 110.154 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -70.35 -37.06 74.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.685 1.194 . . . . 6.0 111.86 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -68.28 -39.71 82.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 118.213 -0.899 . . . . 6.0 111.39 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 44.5 tp -70.98 -41.02 71.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.906 1.23 . . . . 6.0 112.493 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.3 pt -63.26 -35.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 121.065 1.757 . . . . 6.0 111.245 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -71.98 -42.89 65.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.019 0.827 . . . . 6.0 111.247 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -65.07 -39.28 93.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.342 1.057 . . . . 6.0 111.324 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.63 -38.86 64.9 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 119.62 1.1 . . . . 6.0 110.005 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.97 -53.58 56.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.959 1.254 . . . . 6.0 111.938 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.62 -31.86 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.169 0.587 . . . . 6.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 7.7 tt -81.44 -40.97 22.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.545 1.938 . . . . 6.0 112.85 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.95 -51.61 60.83 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.413 1.485 . . . . 6.0 110.085 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.94 -31.83 72.19 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.003 -0.523 . . . . 6.0 111.155 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -64.34 -55.39 21.51 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.645 0.657 . . . . 6.0 109.59 171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.74 -33.58 66.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.652 1.181 . . . . 6.0 113.998 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -71.21 -24.9 62.3 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.196 -0.94 . . . . 6.0 112.894 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -90.17 -39.52 12.78 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.373 1.469 . . . . 6.0 110.966 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 5.4 t -53.71 -46.76 70.87 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.114 2.166 . . . . 6.0 112.429 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.58 -23.2 66.79 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.155 1.168 . . . . 6.0 114.155 177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -90.15 -40.31 12.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.86 1.264 . . . . 6.0 113.273 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -62.81 -32.97 74.26 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.817 1.19 . . . . 6.0 113.559 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.57 -31.03 70.82 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.306 0.854 . . . . 6.0 113.306 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -90.11 -24.43 21.11 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.526 1.13 . . . . 6.0 112.287 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.46 44.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.123 1.369 . . . . 6.0 114.038 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -119.23 160.89 21.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.544 1.538 . . . . 6.0 112.325 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -30.99 71.37 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.326 0.489 . . . . 6.0 113.001 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -154.62 154.76 33.51 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.202 1.801 . . . . 6.0 111.323 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 4.2 m -138.95 172.46 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 127.026 2.131 . . . . 6.0 110.974 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -126.05 159.49 32.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.026 1.33 . . . . 6.0 112.844 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.93 134.29 56.9 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.486 1.514 . . . . 6.0 113.694 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.74 157.75 23.14 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.321 2.248 . . . . 6.0 113.609 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 14.4 m -78.32 5.12 11.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.394 1.628 . . . . 6.0 115.394 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.89 91.14 47.78 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.677 1.191 . . . . 6.0 109.785 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.31 -19.82 13.62 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.556 3.504 . . . . 6.0 115.597 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -64.25 -14.34 55.06 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.671 1.988 . . . . 6.0 113.806 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.7 t -48.05 -42.77 29.34 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.94 2.096 . . . . 6.0 111.441 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -54.98 -51.32 66.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.242 1.417 . . . . 6.0 112.761 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.2 m -74.95 -42.57 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.768 1.227 . . . . 6.0 112.47 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.5 tpp -74.4 -37.05 63.49 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.52 0.934 . . . . 6.0 113.52 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.64 -32.64 69.26 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.845 1.657 . . . . 6.0 112.663 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -66.12 -34.58 78.37 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.41 0.684 . . . . 6.0 111.434 174.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 71.7 t -69.65 -41.45 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.613 0.765 . . . . 6.0 109.615 173.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.2 -42.01 89.93 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.839 0.745 . . . . 6.0 111.118 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -62.13 -30.93 71.37 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.24 1.016 . . . . 6.0 112.463 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -75.79 -49.64 17.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.594 0.757 . . . . 6.0 109.836 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 54.1 ttp -56.68 -24.19 47.17 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.699 1.999 . . . . 6.0 115.206 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.464 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.04 -10.87 6.67 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.65 1.352 . . . . 6.0 114.65 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.55 -20.35 13.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.016 1.726 . . . . 6.0 114.512 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.11 80.02 8.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.242 1.417 . . . . 6.0 112.726 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.83 -1.06 56.87 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.372 1.619 . . . . 6.0 115.372 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -106.71 -44.99 4.32 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.899 1.28 . . . . 6.0 113.338 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 78.05 -8.87 35.32 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 117.992 1.957 . . . . 6.0 117.992 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -38.21 8.64 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.54 1.67 . . . . 6.0 112.652 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.77 -52.74 33.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.94 0.496 . . . . 6.0 110.25 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 48.4 t -74.84 126.07 30.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.005 0.922 . . . . 6.0 108.772 173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -123.39 25.41 8.32 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.202 1.401 . . . . 6.0 113.034 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.02 131.95 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.984 0.914 . . . . 6.0 109.012 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -38.33 -63.47 0.49 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.879 2.072 . . . . 6.0 115.202 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -73.62 -34.92 65.26 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.604 0.964 . . . . 6.0 113.604 -177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.36 -54.26 43.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.235 1.414 . . . . 6.0 111.149 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.3 93.66 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.645 0.98 . . . . 6.0 113.645 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -70.92 -40.27 72.22 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.497 -0.752 . . . . 6.0 112.522 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.9 m -63.92 -42.26 97.43 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.21 0.913 . . . . 6.0 111.561 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -58.45 -35.05 71.55 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 118.794 -0.622 . . . . 6.0 111.869 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -46.25 87.5 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.869 0.759 . . . . 6.0 110.805 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.92 -52.65 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.677 0.791 . . . . 6.0 110.03 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.72 -43.55 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.458 1.103 . . . . 6.0 111.599 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 47.0 m -60.59 -39.19 87.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.682 -0.636 . . . . 6.0 111.149 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -67.07 -47.52 71.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.115 0.566 . . . . 6.0 109.781 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.42 -38.94 69.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.267 1.427 . . . . 6.0 113.75 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.57 -11.67 60.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.387 1.475 . . . . 6.0 114.061 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -126.53 -25.36 3.45 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.819 1.785 . . . . 6.0 115.819 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.45 122.01 21.44 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.853 1.206 . . . . 6.0 111.98 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 77.1 p -120.0 2.21 10.96 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.351 1.86 . . . . 6.0 113.675 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -69.47 153.62 43.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.975 1.31 . . . . 6.0 113.199 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -99.19 4.06 46.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.615 1.566 . . . . 6.0 113.906 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.35 14.29 2.19 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.844 1.424 . . . . 6.0 114.844 -177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.53 123.37 84.31 Favored Pre-proline 0 CA--C 1.557 1.216 0 N-CA-C 108.215 -1.032 . . . . 6.0 108.215 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.22 -32.38 95.69 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.45 2.766 . . . . 6.0 117.254 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.5 t -90.01 -30.14 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.328 0.967 . . . . 6.0 112.185 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -80.56 -41.29 24.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.439 1.496 . . . . 6.0 113.296 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.79 -44.81 47.15 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.728 2.011 . . . . 6.0 115.565 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.57 -47.32 7.56 Favored 'Trans proline' 0 C--N 1.35 0.637 0 CA-C-N 121.735 1.655 . . . . 6.0 112.762 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.28 -36.37 79.3 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.974 0.806 . . . . 6.0 111.816 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -54.41 -34.73 61.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.773 1.229 . . . . 6.0 111.758 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.45 -47.41 8.02 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.736 1.214 . . . . 6.0 112.235 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -64.13 -26.1 68.38 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.426 1.639 . . . . 6.0 115.426 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 5.3 t -69.99 -17.65 63.29 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.051 0.841 . . . . 6.0 113.121 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -96.83 116.95 30.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.804 1.241 . . . . 6.0 111.072 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -93.29 -4.81 51.07 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.917 1.287 . . . . 6.0 114.086 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 124.855 1.262 . . . . 6.0 112.024 178.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 CA-C-O 121.268 0.371 . . . . 6.0 113.674 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -59.51 -17.84 35.19 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.79 1.404 . . . . 6.0 114.79 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.3 -7.25 59.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.608 1.563 . . . . 6.0 113.713 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 47.0 tpp -67.94 134.05 50.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.122 0.969 . . . . 6.0 112.289 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -9.79 12.65 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.329 1.603 . . . . 6.0 115.329 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.8 t -73.89 -25.83 60.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 6.0 112.822 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 29.9 p -82.52 -10.45 58.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.872 1.669 . . . . 6.0 114.183 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -73.29 137.18 44.71 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.504 1.122 . . . . 6.0 112.023 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.61 146.95 44.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.975 0.91 . . . . 6.0 111.958 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -66.26 139.65 38.19 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 123.662 0.649 . . . . 6.0 113.979 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -98.87 22.24 10.44 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.915 1.686 . . . . 6.0 112.589 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 83.47 -177.29 52.7 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.217 . . . . 6.0 113.258 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 33.2 p -139.25 166.88 23.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.198 1.799 . . . . 6.0 111.557 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.557 ' O ' HD12 ' B' ' 434' ' ' LEU . 0.1 OUTLIER -46.0 -45.91 16.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.73 1.612 . . . . 6.0 113.706 -178.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 80.2 p -58.1 -15.34 9.12 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.399 1.629 . . . . 6.0 115.399 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.83 -29.65 70.15 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.922 -1.111 . . . . 6.0 110.544 171.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.21 46.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.561 1.544 . . . . 6.0 112.139 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.8 -30.21 20.41 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.225 1.81 . . . . 6.0 112.39 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 81.4 mt -95.41 -14.91 23.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.777 1.399 . . . . 6.0 114.777 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.76 10.04 20.87 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.676 1.732 . . . . 6.0 115.676 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.23 169.64 12.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.014 1.726 . . . . 6.0 112.122 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -108.3 145.93 33.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.928 1.691 . . . . 6.0 111.066 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.86 -179.78 3.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.44 1.496 . . . . 6.0 112.626 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.93 43.46 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 117.747 2.499 . . . . 6.0 117.747 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -97.52 -39.34 9.19 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.54 1.536 . . . . 6.0 112.812 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -79.24 -30.86 43.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.28 1.032 . . . . 6.0 113.394 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -156.24 153.26 28.87 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.052 2.941 . . . . 6.0 106.169 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -145.22 163.21 35.11 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.264 1.95 . . . . 6.0 116.264 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 6.01 44.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.451 2.301 . . . . 6.0 116.655 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.72 -33.25 26.69 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 120.016 1.28 . . . . 6.0 115.948 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.99 -3.69 57.86 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.806 1.41 . . . . 6.0 114.806 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.464 HD23 HG22 ' A' ' 395' ' ' THR 0.253 0.0 OUTLIER -78.33 -29.49 47.66 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.544 1.065 . . . . 6.0 113.669 -177.277 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.56 -28.56 69.42 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.168 0.894 . . . . 6.0 112.777 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 145.65 -162.41 28.26 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.279 1.419 . . . . 6.0 113.377 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -77.21 -34.43 56.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.252 1.021 . . . . 6.0 111.667 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 13.8 t -153.47 136.83 15.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.291 1.437 . . . . 6.0 110.773 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 33.5 p -89.11 174.44 7.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.281 1.432 . . . . 6.0 112.782 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -124.12 105.65 31.5 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.263 1.025 . . . . 6.0 112.405 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.77 -16.22 10.99 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.121 3.214 . . . . 6.0 115.855 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.17 63.3 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 119.542 1.064 . . . . 6.0 112.552 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -5.82 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.991 1.716 . . . . 6.0 112.219 175.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.68 126.62 30.97 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.31 1.044 . . . . 6.0 111.053 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.6 t -154.52 174.48 14.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.559 1.544 . . . . 6.0 110.105 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.59 133.02 44.51 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.413 -0.804 . . . . 6.0 110.111 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.72 -30.9 63.98 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.377 0.88 . . . . 6.0 113.377 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -67.05 -13.91 62.39 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.123 -0.986 . . . . 6.0 113.615 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.3 m -105.73 7.15 32.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.121 1.769 . . . . 6.0 114.136 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.15 136.55 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.077 1.351 . . . . 6.0 112.678 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -91.58 69.92 5.8 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.512 1.125 . . . . 6.0 111.38 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -104.79 5.0 32.86 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.764 1.625 . . . . 6.0 115.218 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 16.1 m -53.86 -17.1 2.15 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 116.785 2.143 . . . . 6.0 116.785 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -90.07 -19.84 23.89 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.596 1.559 . . . . 6.0 112.475 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -43.01 81.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.305 1.842 . . . . 6.0 111.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -55.73 -20.05 13.2 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.038 1.125 . . . . 6.0 114.038 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.23 -31.06 71.16 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.046 0.839 . . . . 6.0 112.519 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.18 -23.72 24.7 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.381 0.992 . . . . 6.0 112.034 173.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.48 -11.18 58.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.555 1.142 . . . . 6.0 113.063 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.46 -20.3 29.83 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.496 1.518 . . . . 6.0 112.562 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.37 -21.98 66.81 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.888 1.675 . . . . 6.0 112.566 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 75.62 147.75 1.9 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 126.684 2.088 . . . . 6.0 116.147 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 35.2 m -90.4 158.56 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.652 1.581 . . . . 6.0 109.999 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 90.1 p -102.0 153.24 20.07 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.344 0.868 . . . . 6.0 113.344 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -114.3 153.51 29.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.688 1.595 . . . . 6.0 111.103 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 33.4 m -63.23 123.91 19.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.338 1.455 . . . . 6.0 112.872 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -142.73 155.36 44.86 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.14 1.776 . . . . 6.0 110.922 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 33.8 t -75.37 145.45 41.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.538 0.735 . . . . 6.0 112.321 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.2 p -87.36 -11.04 50.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.23 1.412 . . . . 6.0 113.055 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.5 0.98 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.826 1.651 . . . . 6.0 112.847 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.49 148.12 82.76 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.222 1.409 . . . . 6.0 112.488 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 C-N-CA 123.551 2.834 . . . . 6.0 112.485 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 112.805 0.669 . . . . 6.0 112.805 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 46.0 p -133.43 159.79 39.3 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.765 1.626 . . . . 6.0 112.092 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 77.84 179.5 50.01 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.443 1.021 . . . . 6.0 114.561 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.35 161.77 41.88 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.08 3.187 . . . . 6.0 113.117 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 38.7 p -76.4 -19.34 58.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.784 1.234 . . . . 6.0 113.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -143.02 160.87 39.55 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.22 1.808 . . . . 6.0 111.527 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.26 138.39 15.57 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.895 1.278 . . . . 6.0 111.114 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.6 -40.28 18.46 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.681 2.254 . . . . 6.0 113.935 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.92 -32.98 71.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.629 -1.294 . . . . 6.0 111.331 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -61.42 -44.96 96.22 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 6.0 109.119 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 37.6 ttp-105 -59.58 -43.01 93.79 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.397 1.079 . . . . 6.0 110.959 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -58.83 -48.14 82.37 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.595 1.088 . . . . 6.0 112.099 176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.5 -52.75 50.49 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.089 1.313 . . . . 6.0 111.667 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.28 -36.47 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.394 1.452 . . . . 6.0 112.223 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -73.75 -35.62 65.03 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.188 -0.945 . . . . 6.0 111.853 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -68.42 -39.71 81.47 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.858 0.863 . . . . 6.0 110.395 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -40.03 88.88 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.052 -0.722 . . . . 6.0 109.052 177.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.17 -51.75 62.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.34 1.056 . . . . 6.0 113.051 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.54 -37.23 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.803 0.729 . . . . 6.0 110.869 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.5 -43.37 73.23 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.384 1.474 . . . . 6.0 111.613 177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.82 -58.16 8.39 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.966 1.306 . . . . 6.0 110.811 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.24 -33.55 72.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.093 0.557 . . . . 6.0 111.045 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.6 -54.67 32.26 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.891 0.768 . . . . 6.0 109.793 171.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.37 67.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.462 1.105 . . . . 6.0 113.21 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -90.14 -37.31 14.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.949 1.3 . . . . 6.0 110.632 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.48 -44.94 95.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.953 1.701 . . . . 6.0 111.674 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.86 -17.58 64.96 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.253 -0.904 . . . . 6.0 113.16 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -90.17 -50.37 6.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.507 1.523 . . . . 6.0 113.43 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -55.63 -24.66 34.81 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 115.971 1.841 . . . . 6.0 115.971 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.76 -21.15 65.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.084 1.142 . . . . 6.0 114.084 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -90.05 -17.08 28.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -98.33 -7.72 28.42 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.744 1.617 . . . . 6.0 114.16 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -132.68 149.39 52.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.447 1.499 . . . . 6.0 111.51 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.29 -33.57 73.48 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.909 -0.494 . . . . 6.0 112.551 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -145.16 147.69 32.75 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.202 2.201 . . . . 6.0 109.537 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.67 141.81 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.587 1.555 . . . . 6.0 111.133 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -75.99 154.69 35.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.05 0.94 . . . . 6.0 113.324 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.29 145.08 49.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.136 1.375 . . . . 6.0 113.222 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.9 m -81.08 154.11 26.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.703 1.601 . . . . 6.0 113.742 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 70.7 p -90.35 -8.92 49.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.122 1.369 . . . . 6.0 113.339 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 74.0 mt -115.35 100.97 54.24 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.997 1.719 . . . . 6.0 110.026 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.87 -27.24 43.1 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.033 3.156 . . . . 6.0 116.619 -176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.2 -9.84 49.97 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.901 1.445 . . . . 6.0 114.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.99 -51.91 37.97 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.39 1.476 . . . . 6.0 111.191 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -63.17 -42.97 99.48 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.119 0.967 . . . . 6.0 112.939 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 1.3 m -62.91 -41.57 99.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.114 0.966 . . . . 6.0 111.521 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 23.7 tpp -77.59 -36.5 51.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.201 0.601 . . . . 6.0 111.987 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.57 -32.13 64.9 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.283 -1.511 . . . . 6.0 112.65 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -65.28 -34.84 79.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.355 0.662 . . . . 6.0 111.474 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.74 -40.91 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.233 1.013 . . . . 6.0 109.497 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.44 -40.89 92.73 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.648 0.658 . . . . 6.0 110.889 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -58.24 -37.98 75.95 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.5 0.72 . . . . 6.0 111.865 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.22 -48.63 61.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.67 0.668 . . . . 6.0 109.654 172.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.563 ' HE3' HD11 ' B' ' 452' ' ' LEU . 29.1 ttp -62.51 -27.92 69.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.58 -20.94 66.07 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 121.436 1.925 . . . . 6.0 112.101 176.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -105.36 6.19 32.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.818 2.047 . . . . 6.0 112.918 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 6.3 t -125.47 115.0 19.56 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.594 1.558 . . . . 6.0 111.859 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -140.97 19.92 2.3 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.58 1.552 . . . . 6.0 111.101 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -82.92 -1.27 51.79 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 66.46 -134.38 33.22 Favored Glycine 0 CA--C 1.532 1.143 0 O-C-N 121.018 -1.051 . . . . 6.0 113.853 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -56.46 -18.53 11.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.841 1.656 . . . . 6.0 114.657 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.96 69.29 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.501 -0.749 . . . . 6.0 112.35 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 31.3 t -98.61 116.32 30.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.63 1.172 . . . . 6.0 108.456 174.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -106.33 21.04 18.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.966 1.306 . . . . 6.0 113.622 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.0 t -71.01 126.39 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.913 -1.143 . . . . 6.0 107.913 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -41.89 -58.6 1.99 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.175 1.79 . . . . 6.0 115.107 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -75.89 -31.41 59.2 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.902 1.075 . . . . 6.0 113.902 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 46.1 t -63.26 -51.61 65.47 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.046 1.338 . . . . 6.0 110.621 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.3 65.92 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.78 1.03 . . . . 6.0 113.78 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 77.5 p -67.49 -28.0 67.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.307 0.958 . . . . 6.0 113.071 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.7 m -70.3 -52.34 23.58 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.001 0.819 . . . . 6.0 109.615 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -57.17 -39.65 75.73 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.077 -1.015 . . . . 6.0 112.416 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.6 -31.47 70.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.723 1.209 . . . . 6.0 112.386 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -38.59 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.624 0.77 . . . . 6.0 112.063 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.42 -39.97 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.127 0.876 . . . . 6.0 110.694 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -60.46 -37.57 81.41 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.15 -0.969 . . . . 6.0 111.068 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -64.07 -50.55 67.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.47 0.708 . . . . 6.0 109.195 172.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -51.07 -39.75 56.75 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.005 1.722 . . . . 6.0 113.812 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -76.84 -7.45 55.49 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.593 1.557 . . . . 6.0 114.699 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -132.4 -21.9 2.25 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.354 1.983 . . . . 6.0 116.354 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.59 152.69 43.51 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.267 1.58 . . . . 6.0 115.267 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.2 p -81.74 57.46 3.41 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.996 2.118 . . . . 6.0 109.431 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -25.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.588 3.555 . . . . 6.0 118.041 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -66.17 -13.45 60.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.249 1.42 . . . . 6.0 113.887 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.66 5.75 1.4 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.765 1.765 . . . . 6.0 115.765 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.2 t -80.04 130.74 65.33 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 119.731 1.15 . . . . 6.0 109.586 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.74 -24.68 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.12 2.547 . . . . 6.0 115.318 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.1 -40.19 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.268 0.94 . . . . 6.0 111.498 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.0 m -74.33 -44.15 53.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.753 1.221 . . . . 6.0 113.404 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.47 -46.72 99.04 Favored Pre-proline 0 CA--C 1.546 0.819 0 N-CA-C 115.132 1.53 . . . . 6.0 115.132 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -64.53 -38.51 32.48 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 CA-C-N 122.116 1.791 . . . . 6.0 112.414 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.489 HD23 HD21 ' B' ' 438' ' ' LEU . 17.0 mt -68.24 -36.94 80.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.966 0.906 . . . . 6.0 111.526 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -61.36 -25.33 67.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.064 1.746 . . . . 6.0 111.848 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -92.12 -36.75 13.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.859 1.264 . . . . 6.0 112.053 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.74 64.66 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.123 1.157 . . . . 6.0 114.123 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 62.6 p -63.44 -19.41 64.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.167 0.987 . . . . 6.0 112.914 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.26 -15.84 39.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.472 1.509 . . . . 6.0 114.355 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.78 -21.04 66.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.429 0.559 . . . . 6.0 111.812 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 127.707 2.403 . . . . 6.0 113.721 174.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 N-CA-C 114.828 0.691 . . . . 6.0 114.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.1 t -73.89 155.32 38.85 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.815 1.246 . . . . 6.0 112.838 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.86 -13.48 59.99 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.552 1.141 . . . . 6.0 112.649 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 98.2 mmm -116.05 142.21 47.1 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 6.0 111.592 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -87.67 -13.78 41.68 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.799 1.24 . . . . 6.0 114.23 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 85.9 p -152.13 166.95 30.07 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.209 1.403 . . . . 6.0 112.336 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.0 p -91.74 13.57 17.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.92 1.688 . . . . 6.0 113.567 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -64.39 149.19 48.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.82 1.248 . . . . 6.0 113.4 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -78.75 170.88 15.96 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.089 1.356 . . . . 6.0 113.453 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -73.1 -173.32 24.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.891 1.234 . . . . 6.0 114.474 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.42 158.36 44.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.82 1.648 . . . . 6.0 111.025 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.99 46.37 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.117 1.341 . . . . 6.0 114.798 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 34.8 p -72.66 -6.38 43.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.472 1.909 . . . . 6.0 113.594 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.15 -35.37 11.47 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.146 2.179 . . . . 6.0 113.691 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 77.7 p -61.06 -17.85 54.68 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.924 1.083 . . . . 6.0 113.924 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -71.24 -34.97 71.27 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.711 -1.243 . . . . 6.0 111.115 174.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.99 69.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.583 0.753 . . . . 6.0 111.502 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.489 HD21 HD23 ' A' ' 432' ' ' LEU . 1.8 tt -80.24 -53.89 6.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.577 1.951 . . . . 6.0 111.45 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.8 mt -73.41 -20.44 60.73 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.226 1.565 . . . . 6.0 115.226 -176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -0.58 55.64 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.496 1.295 . . . . 6.0 114.496 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.5 148.5 24.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.753 1.621 . . . . 6.0 112.507 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -78.41 84.29 4.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.508 -0.923 . . . . 6.0 108.508 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 14.0 t80 -75.35 173.79 10.43 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.934 1.294 . . . . 6.0 113.608 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -43.37 114.33 0.61 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.385 2.274 . . . . 6.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.09 -41.25 7.22 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.642 2.089 . . . . 6.0 116.642 -174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.05 -68.52 0.42 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.546 1.684 . . . . 6.0 115.546 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -70.19 155.31 40.82 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.248 0.619 . . . . 6.0 111.299 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.93 166.51 24.58 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.127 1.158 . . . . 6.0 114.127 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.63 9.99 4.45 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 117.234 2.309 . . . . 6.0 117.234 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.51 -35.88 62.74 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 119.882 1.219 . . . . 6.0 113.387 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.58 -19.49 60.87 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.463 1.105 . . . . 6.0 113.663 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.563 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -79.72 -45.61 18.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.59 1.556 . . . . 6.0 110.266 177.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . 0.49 ' N ' HD13 ' B' ' 452' ' ' LEU . 3.2 tp -79.52 -26.83 41.42 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.829 -0.544 . . . . 6.0 112.033 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 75.34 175.41 36.88 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.554 1.55 . . . . 6.0 114.589 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.27 -38.46 50.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.692 0.797 . . . . 6.0 111.782 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 53.8 m -79.1 112.8 16.67 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.454 1.102 . . . . 6.0 110.159 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 62.8 p -137.45 173.21 11.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.641 1.576 . . . . 6.0 111.603 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.27 100.85 50.86 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 124.825 1.25 . . . . 6.0 113.739 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -55.84 -19.26 24.46 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.386 2.724 . . . . 6.0 114.367 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -67.8 -23.81 74.15 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.064 0.84 . . . . 6.0 113.469 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.68 -18.79 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.766 1.283 . . . . 6.0 112.124 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -66.5 131.97 47.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.448 1.899 . . . . 6.0 110.432 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.3 t -156.79 175.84 13.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.384 1.074 . . . . 6.0 110.877 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.57 140.66 56.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.541 0.736 . . . . 6.0 110.563 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -34.79 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.839 0.855 . . . . 6.0 112.521 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.85 -12.16 61.38 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.335 0.865 . . . . 6.0 113.335 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 43.4 m -111.09 10.13 22.0 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.163 2.185 . . . . 6.0 113.516 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.42 143.65 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.047 1.339 . . . . 6.0 112.202 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -99.0 69.9 1.78 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.409 1.084 . . . . 6.0 111.321 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -112.17 23.34 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.604 1.705 . . . . 6.0 115.604 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 22.2 m -56.16 -22.5 29.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.235 1.198 . . . . 6.0 114.235 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -89.98 -22.94 21.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.252 1.421 . . . . 6.0 112.563 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -45.18 64.24 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.966 0.906 . . . . 6.0 110.057 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -57.99 -29.68 65.45 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.359 -0.838 . . . . 6.0 113.16 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -68.61 -26.39 65.34 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.988 0.813 . . . . 6.0 111.484 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -40.47 14.98 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.719 1.207 . . . . 6.0 109.956 174.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 22.4 mt -77.64 -19.36 55.6 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.369 1.618 . . . . 6.0 115.369 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -72.72 -23.74 60.89 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.061 1.3 . . . . 6.0 112.205 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -88.33 51.53 2.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.007 1.723 . . . . 6.0 112.748 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 168.56 -110.54 0.39 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.035 -1.04 . . . . 6.0 115.388 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 20.7 m -32.93 124.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.369 2.268 . . . . 6.0 114.645 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.0 t -156.79 156.79 33.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.197 1.399 . . . . 6.0 111.667 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -92.71 -11.75 33.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.587 1.555 . . . . 6.0 112.865 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 45.4 m -70.23 152.49 44.17 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.775 1.23 . . . . 6.0 113.215 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -143.33 153.39 42.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.435 1.494 . . . . 6.0 110.987 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -74.02 155.26 38.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.569 1.148 . . . . 6.0 112.724 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 28.2 m -87.08 140.92 29.06 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.597 1.159 . . . . 6.0 111.079 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.07 45.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.091 1.356 . . . . 6.0 111.837 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.38 -40.37 19.73 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 115.818 1.784 . . . . 6.0 115.818 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo . . . . . 0 C--N 1.356 0.969 0 C-N-CA 123.44 2.76 . . . . 6.0 113.123 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.795 1.035 . . . . 6.0 113.795 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.4 m -65.9 138.65 58.0 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.366 1.466 . . . . 6.0 111.946 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -175.11 174.02 46.54 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.735 1.16 . . . . 6.0 113.496 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.74 160.06 47.12 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.915 3.076 . . . . 6.0 112.897 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.7 p -76.29 -22.39 55.11 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.578 1.151 . . . . 6.0 113.704 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -145.24 153.9 41.8 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.138 1.775 . . . . 6.0 111.096 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -150.34 140.57 14.05 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.537 1.135 . . . . 6.0 111.166 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -61.73 -20.88 70.69 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.339 2.693 . . . . 6.0 114.351 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.71 -26.29 66.94 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.524 -1.36 . . . . 6.0 111.396 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.25 77.65 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.485 -0.759 . . . . 6.0 109.667 173.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -66.88 -41.25 87.56 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.343 0.657 . . . . 6.0 110.502 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -63.14 -42.47 99.48 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.884 0.765 . . . . 6.0 111.165 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.6 -51.88 63.34 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.681 -1.152 . . . . 6.0 111.77 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.5 pt -60.97 -36.03 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 121.192 1.814 . . . . 6.0 111.674 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -69.11 -26.02 64.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.974 0.91 . . . . 6.0 112.026 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.53 -37.13 23.44 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.964 1.306 . . . . 6.0 111.278 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.34 -55.13 27.36 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.311 1.045 . . . . 6.0 111.336 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 358' ' ' VAL 0.312 0.0 OUTLIER -62.81 -39.36 94.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.785 1.175 . . . . 6.0 113.463 -178.237 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . 0.442 ' N ' HD22 ' A' ' 357' ' ' LEU . 7.1 p -69.28 -36.36 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.954 1.706 . . . . 6.0 111.694 178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -71.78 -37.22 70.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.818 0.847 . . . . 6.0 111.668 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.59 -54.8 16.79 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.591 1.156 . . . . 6.0 109.314 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 2.4 mp -54.28 -39.62 67.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.17 0.988 . . . . 6.0 110.386 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.41 -57.77 11.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.605 0.639 . . . . 6.0 109.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.96 -32.99 68.37 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.538 1.063 . . . . 6.0 113.837 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 391' ' ' LEU . 71.1 m80 -70.43 -30.52 67.4 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.135 -0.978 . . . . 6.0 112.094 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -90.1 -31.41 17.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.603 1.561 . . . . 6.0 112.99 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 9.8 t -58.63 -47.78 83.23 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.533 1.933 . . . . 6.0 111.158 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.2 -15.8 63.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.543 0.942 . . . . 6.0 113.543 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -89.56 -46.72 8.46 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.97 1.308 . . . . 6.0 111.295 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -61.19 -30.55 70.48 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.472 1.033 . . . . 6.0 112.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -61.36 -41.97 97.94 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.585 1.554 . . . . 6.0 112.23 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -89.95 -19.04 24.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.437 1.095 . . . . 6.0 113.426 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.48 -12.9 58.71 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.891 1.441 . . . . 6.0 114.891 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.27 151.47 51.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.578 1.151 . . . . 6.0 113.228 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -75.53 -30.96 57.49 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.857 0.741 . . . . 6.0 112.8 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -122.24 141.07 51.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.873 2.069 . . . . 6.0 108.984 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.93 140.3 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.834 0.854 . . . . 6.0 111.5 -176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -91.85 178.32 5.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.67 1.588 . . . . 6.0 112.54 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -59.61 163.54 4.19 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.531 1.532 . . . . 6.0 114.636 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.66 152.24 28.57 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.132 1.373 . . . . 6.0 112.672 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 12.2 m -85.96 -40.58 15.71 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.103 1.149 . . . . 6.0 114.103 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.4 mt -132.4 112.24 14.12 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 125.063 1.345 . . . . 6.0 110.07 -176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.54 -28.18 8.57 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.913 3.742 . . . . 6.0 117.516 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -64.53 -12.78 48.01 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.162 1.385 . . . . 6.0 114.355 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 40.6 t -50.58 -38.53 45.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.234 1.813 . . . . 6.0 111.508 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -55.03 -52.21 63.87 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.471 1.109 . . . . 6.0 112.571 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.6 m -75.52 -39.96 57.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.031 0.933 . . . . 6.0 111.801 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -71.77 -39.0 70.26 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.759 1.022 . . . . 6.0 113.759 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -58.24 -31.57 67.51 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.144 -1.597 . . . . 6.0 112.949 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -66.43 -33.94 76.83 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.518 0.727 . . . . 6.0 111.432 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.02 -40.31 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.125 0.97 . . . . 6.0 109.62 173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 364' ' ' HIS . 15.4 mt -60.28 -43.16 96.48 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.754 -0.592 . . . . 6.0 111.097 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -58.97 -34.24 71.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.424 0.69 . . . . 6.0 112.042 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -72.03 -49.32 37.8 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.68 0.673 . . . . 6.0 109.886 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 39.8 ttp -60.0 -31.69 70.17 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.141 1.534 . . . . 6.0 115.141 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -64.38 -16.74 62.87 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 121.171 1.805 . . . . 6.0 112.755 177.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -110.75 5.67 20.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.945 2.098 . . . . 6.0 113.467 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 30.9 t -129.09 118.91 23.28 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.682 1.593 . . . . 6.0 111.666 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.5 28.98 1.44 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.122 1.156 . . . . 6.0 114.122 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.33 11.13 10.81 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.767 1.627 . . . . 6.0 114.696 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 71.63 -145.77 39.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.009 -1.057 . . . . 6.0 112.729 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.33 0.09 15.46 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.661 1.356 . . . . 6.0 114.661 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -63.54 -32.2 73.59 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.891 0.876 . . . . 6.0 111.368 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 23.6 t -68.09 121.81 16.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.516 1.127 . . . . 6.0 108.721 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -80.44 5.81 14.04 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.841 1.052 . . . . 6.0 113.841 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.85 118.05 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 124.129 0.972 . . . . 6.0 108.873 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.88 61.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.093 1.357 . . . . 6.0 113.418 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.92 -35.51 76.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.698 0.799 . . . . 6.0 112.951 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.16 -57.04 9.57 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.991 1.317 . . . . 6.0 111.323 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.36 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.696 0.999 . . . . 6.0 113.696 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.0 p -72.02 -36.58 69.71 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.851 0.686 . . . . 6.0 112.851 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 53.7 m -68.79 -44.3 73.89 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.797 0.726 . . . . 6.0 111.148 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.56 -37.23 72.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.417 0.687 . . . . 6.0 112.172 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -47.46 85.66 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.784 0.834 . . . . 6.0 110.741 176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -46.64 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.012 0.925 . . . . 6.0 111.839 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.03 -42.14 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 118.62 0.645 . . . . 6.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 50.4 m -60.82 -40.62 93.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.678 0.672 . . . . 6.0 111.207 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -64.92 -48.47 74.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.063 0.545 . . . . 6.0 110.141 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -58.46 -35.57 72.36 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.601 1.161 . . . . 6.0 114.018 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -72.22 -12.32 61.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.098 1.359 . . . . 6.0 113.799 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.89 -24.85 3.42 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.365 1.987 . . . . 6.0 116.365 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 21.3 t -73.28 119.61 17.75 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.302 1.41 . . . . 6.0 112.71 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -120.06 0.68 10.78 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.497 1.919 . . . . 6.0 113.76 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -73.25 154.34 40.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.94 1.296 . . . . 6.0 113.19 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -97.22 0.45 48.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 6.0 114.375 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.44 12.58 6.47 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 7.9 t -68.73 128.1 92.99 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.938 0.895 . . . . 6.0 109.312 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -63.83 -25.5 67.77 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.528 2.819 . . . . 6.0 115.938 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 48.4 t -90.13 -37.17 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 119.349 0.977 . . . . 6.0 111.773 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 23.6 m -75.78 -24.57 55.99 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.615 1.566 . . . . 6.0 114.988 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.23 -55.4 9.79 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 116.724 2.12 . . . . 6.0 116.724 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 -30.1 10.1 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.984 1.744 . . . . 6.0 112.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.4 mm? -73.46 -34.28 65.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.865 1.061 . . . . 6.0 113.865 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -65.84 -16.54 63.92 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.762 1.165 . . . . 6.0 112.21 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -91.92 -45.97 8.08 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.557 1.543 . . . . 6.0 110.339 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.91 65.24 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.323 1.449 . . . . 6.0 114.573 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 p -59.85 -24.07 63.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.384 0.883 . . . . 6.0 113.384 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -96.89 -6.42 35.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.704 1.602 . . . . 6.0 113.909 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.05 3.87 21.73 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.778 1.029 . . . . 6.0 113.778 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 . . . . . 0 N--CA 1.478 0.975 0 C-N-CA 125.047 1.339 . . . . 6.0 112.247 179.059 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 121.351 0.417 . . . . 6.0 114.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.6 t -73.1 -24.66 60.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.122 0.969 . . . . 6.0 113.404 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -112.11 152.08 28.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.028 1.731 . . . . 6.0 111.451 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.14 145.92 47.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.877 0.871 . . . . 6.0 112.25 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -53.58 -27.11 24.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.627 1.571 . . . . 6.0 114.634 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 65.5 p -77.16 -9.34 58.7 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.558 1.543 . . . . 6.0 115.089 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 82.0 p -77.75 36.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.245 1.418 . . . . 6.0 114.427 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.66 149.95 46.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.847 1.259 . . . . 6.0 112.622 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.7 45.26 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.203 1.001 . . . . 6.0 112.338 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -85.73 -170.58 47.22 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.34 0.971 . . . . 6.0 113.51 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.92 137.49 39.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.155 1.382 . . . . 6.0 110.671 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -156.17 -138.6 2.58 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.24 1.876 . . . . 6.0 111.434 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.1 t -144.35 149.71 36.61 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.276 1.03 . . . . 6.0 110.826 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 15.1 tp -50.62 -43.86 57.02 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.443 1.497 . . . . 6.0 112.665 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 87.8 p -61.48 -20.75 63.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.95 -0.568 . . . . 6.0 112.403 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -90.09 -37.43 14.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.816 1.246 . . . . 6.0 109.554 169.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.86 28.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.624 1.57 . . . . 6.0 113.3 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.317 4.1 pp -91.07 -9.88 44.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.39 1.996 . . . . 6.0 116.39 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.02 -22.56 11.76 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.463 1.105 . . . . 6.0 113.924 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.9 1.62 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.489 1.663 . . . . 6.0 115.489 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.49 166.07 25.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.723 1.609 . . . . 6.0 112.369 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.79 110.35 9.01 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.534 0.734 . . . . 6.0 109.775 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.469 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 9.6 t80 -77.45 -179.95 6.1 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.283 1.033 . . . . 6.0 112.111 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -54.11 -6.89 0.11 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 117.497 2.406 . . . . 6.0 117.497 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.56 -19.46 62.87 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.2 -0.937 . . . . 6.0 112.042 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -84.92 -52.7 5.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.62 1.168 . . . . 6.0 112.605 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -154.73 163.8 39.71 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.666 2.386 . . . . 6.0 109.464 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.28 161.11 42.18 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.704 1.372 . . . . 6.0 114.704 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.17 7.83 36.04 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.371 2.668 . . . . 6.0 118.125 -175.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -42.62 -31.68 1.13 Allowed Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.459 2.144 . . . . 6.0 118.459 -172.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.5 48.73 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.757 1.762 . . . . 6.0 115.757 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.431 HD22 ' O ' ' B' ' 452' ' ' LEU 0.257 0.0 OUTLIER -73.2 -23.64 60.42 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.838 1.199 . . . . 6.0 113.383 -178.029 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.84 -10.87 52.63 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.31 0.855 . . . . 6.0 113.31 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 114.98 -175.46 16.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.203 1.383 . . . . 6.0 114.204 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.13 -44.28 76.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.787 0.835 . . . . 6.0 112.636 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.7 m -140.05 113.76 8.71 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.739 1.215 . . . . 6.0 110.835 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 3.1 p -74.85 162.22 28.85 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.844 0.858 . . . . 6.0 112.926 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -108.57 106.2 58.27 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.286 1.434 . . . . 6.0 112.756 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.85 -19.84 20.54 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.477 2.785 . . . . 6.0 114.446 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.27 -20.52 63.15 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.019 0.827 . . . . 6.0 113.232 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -24.28 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.617 1.167 . . . . 6.0 111.655 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.56 124.26 23.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.074 1.75 . . . . 6.0 111.387 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 11.4 t -153.66 -179.97 8.29 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.546 1.138 . . . . 6.0 111.148 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -66.02 126.23 27.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.218 1.007 . . . . 6.0 109.966 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 353' ' ' ILE . 10.3 mt -59.31 -31.55 69.25 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.442 -0.786 . . . . 6.0 112.81 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -6.18 24.45 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.138 -0.976 . . . . 6.0 113.556 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 37.2 m -113.68 11.84 18.25 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.42 1.888 . . . . 6.0 113.583 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.65 135.33 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.079 1.352 . . . . 6.0 113.15 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -90.15 69.9 7.25 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.643 1.977 . . . . 6.0 112.004 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -105.43 25.89 10.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.026 1.731 . . . . 6.0 114.4 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 36.2 p -47.17 -38.24 11.49 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.427 1.891 . . . . 6.0 115.882 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -85.8 -26.56 25.69 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.906 -1.121 . . . . 6.0 112.121 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -33.62 73.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.354 -0.841 . . . . 6.0 110.291 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.96 -40.02 79.54 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.79 -0.569 . . . . 6.0 110.757 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -74.09 -35.03 64.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.328 1.451 . . . . 6.0 112.194 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.81 -48.45 68.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.601 1.161 . . . . 6.0 110.508 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.6 mt -75.58 -12.78 60.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.848 1.259 . . . . 6.0 113.855 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -63.67 -15.47 58.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.797 0.839 . . . . 6.0 112.035 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -11.44 35.35 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.354 1.061 . . . . 6.0 113.845 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.73 147.69 15.33 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.589 1.566 . . . . 6.0 116.062 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 15.2 m -107.04 130.8 58.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.197 1.799 . . . . 6.0 111.669 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 51.5 m -74.12 150.66 40.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.813 0.845 . . . . 6.0 112.263 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 82.3 mtp -82.2 -57.38 3.41 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.353 0.871 . . . . 6.0 113.353 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 66.9 m -149.53 163.92 36.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.728 1.611 . . . . 6.0 112.042 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -139.85 136.7 34.24 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.904 1.281 . . . . 6.0 110.655 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 45.3 m -80.34 160.35 25.48 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.5 1.12 . . . . 6.0 113.029 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 33.8 p -94.76 163.96 13.14 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.539 1.536 . . . . 6.0 111.374 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.48 156.81 46.7 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.697 1.199 . . . . 6.0 112.7 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.36 156.0 71.92 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.789 1.636 . . . . 6.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 123.901 3.067 . . . . 6.0 113.965 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.732 0.641 . . . . 6.0 112.732 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 36.7 p -77.56 -16.0 58.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.869 1.268 . . . . 6.0 113.796 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.2 176.91 47.31 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.629 1.585 . . . . 6.0 112.928 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.41 162.32 41.81 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.782 2.988 . . . . 6.0 112.577 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.3 p -70.88 -27.6 63.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.324 1.05 . . . . 6.0 113.227 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.31 150.35 31.36 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.318 1.847 . . . . 6.0 110.683 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.98 135.64 58.63 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 121.663 -0.648 . . . . 6.0 110.337 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -59.64 -31.42 94.3 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.324 2.683 . . . . 6.0 114.507 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.02 -19.67 43.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.108 0.781 . . . . 6.0 113.108 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -78.85 -48.79 14.04 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.578 -1.267 . . . . 6.0 107.578 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.72 -44.92 63.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.494 2.318 . . . . 6.0 111.744 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.72 -40.1 75.1 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.547 1.067 . . . . 6.0 112.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 53.7 tp -77.12 -45.69 26.04 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.797 -1.096 . . . . 6.0 112.097 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.0 pt -62.45 -29.83 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 120.741 1.61 . . . . 6.0 112.229 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -82.33 -38.91 23.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.878 0.871 . . . . 6.0 112.032 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -73.42 -40.81 63.96 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.222 -0.924 . . . . 6.0 111.974 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.427 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 14.0 pt20 -62.88 -38.72 92.02 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 119.021 0.828 . . . . 6.0 109.299 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.444 HD21 ' CZ3' ' A' ' 418' ' ' TRP . 13.2 tp -62.52 -51.21 68.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.03 1.732 . . . . 6.0 112.184 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.2 p -64.59 -38.02 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.777 1.171 . . . . 6.0 111.196 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.1 tt -70.77 -36.45 73.09 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.88 0.872 . . . . 6.0 112.443 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.27 -58.6 6.63 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.897 1.279 . . . . 6.0 108.584 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.29 -34.23 56.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.771 1.228 . . . . 6.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -67.61 -56.11 10.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.437 0.695 . . . . 6.0 110.552 172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.0 -32.74 61.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.824 1.249 . . . . 6.0 113.759 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.48 -34.55 78.55 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.88 0.872 . . . . 6.0 112.531 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -90.29 -33.36 16.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.178 1.391 . . . . 6.0 113.93 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 8.0 t -55.31 -42.86 74.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.115 1.366 . . . . 6.0 112.125 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.06 -20.13 66.07 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.206 1.187 . . . . 6.0 114.206 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -90.17 -43.63 10.31 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.108 1.363 . . . . 6.0 112.795 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -61.46 -31.08 71.03 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.583 1.083 . . . . 6.0 113.62 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.95 -31.15 68.75 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -90.05 -23.36 21.47 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.308 1.043 . . . . 6.0 112.426 176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.62 -15.53 58.42 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.571 1.549 . . . . 6.0 114.308 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -130.01 155.47 46.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.266 1.427 . . . . 6.0 112.441 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.59 -25.34 72.6 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 123.542 0.592 . . . . 6.0 113.338 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.01 148.18 39.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.849 2.06 . . . . 6.0 110.153 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.17 158.48 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.101 1.36 . . . . 6.0 110.946 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -118.71 155.9 30.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.3 1.44 . . . . 6.0 113.482 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.16 141.43 58.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.468 1.507 . . . . 6.0 113.766 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.58 157.35 23.51 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.422 2.289 . . . . 6.0 113.484 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 17.6 m -79.2 -10.24 59.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.995 1.48 . . . . 6.0 114.995 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.34 85.45 3.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 126.366 1.866 . . . . 6.0 109.162 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -57.8 -19.2 37.65 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.069 3.179 . . . . 6.0 116.413 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -66.56 -11.45 53.07 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.255 0.934 . . . . 6.0 113.025 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 36.9 t -47.41 -46.81 26.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.558 2.343 . . . . 6.0 112.117 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.02 -46.27 90.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.045 0.938 . . . . 6.0 112.743 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.5 m -66.98 -39.85 87.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.936 0.894 . . . . 6.0 111.193 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.4 tpp -73.79 -37.23 65.02 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.998 0.74 . . . . 6.0 112.998 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.29 -31.85 66.04 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.314 -1.491 . . . . 6.0 112.664 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -66.0 -34.73 78.77 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.573 0.749 . . . . 6.0 111.446 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.56 -41.25 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.172 0.989 . . . . 6.0 109.432 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.03 -40.92 95.42 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.517 0.599 . . . . 6.0 110.993 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -61.49 -31.48 71.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.76 0.824 . . . . 6.0 112.443 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -74.5 -48.15 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.561 -0.712 . . . . 6.0 109.568 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 48.6 ttp -58.9 -29.95 67.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.719 1.608 . . . . 6.0 115.042 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -23.0 63.16 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.116 1.78 . . . . 6.0 112.007 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -108.66 5.16 24.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.763 2.025 . . . . 6.0 114.095 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.4 t -130.02 134.79 47.65 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.955 1.302 . . . . 6.0 113.854 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -150.86 29.86 0.66 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.904 1.682 . . . . 6.0 111.89 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -81.84 -9.27 59.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.938 1.295 . . . . 6.0 114.343 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.4 -129.83 40.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 121.101 -0.999 . . . . 6.0 113.65 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -62.63 -18.05 61.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.868 1.062 . . . . 6.0 113.868 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.59 63.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.402 0.681 . . . . 6.0 112.091 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 13.9 t -73.08 120.67 19.03 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.09 -1.078 . . . . 6.0 108.09 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -79.37 4.71 14.54 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.407 0.891 . . . . 6.0 113.407 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.85 112.27 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 124.531 1.132 . . . . 6.0 108.061 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.14 -46.07 68.65 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.633 1.173 . . . . 6.0 112.997 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -67.77 -36.66 80.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.619 0.768 . . . . 6.0 112.67 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.22 -55.27 14.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.607 1.163 . . . . 6.0 110.9 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.34 90.19 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 113.658 0.985 . . . . 6.0 113.658 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.5 p -72.49 -41.62 65.79 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.01 0.823 . . . . 6.0 111.727 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 48.8 m -64.39 -37.7 88.43 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.824 0.738 . . . . 6.0 112.043 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -59.78 -36.58 77.0 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.47 1.032 . . . . 6.0 111.498 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -45.54 91.87 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.659 0.663 . . . . 6.0 110.988 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.91 -51.97 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.169 0.988 . . . . 6.0 110.693 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 38.3 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 122.999 0.52 . . . . 6.0 111.372 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 17.3 t -59.5 -42.16 91.53 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.352 -0.843 . . . . 6.0 111.156 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -60.74 -48.35 82.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.613 0.765 . . . . 6.0 109.466 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . 0.444 ' CZ3' HD21 ' A' ' 357' ' ' LEU . 0.9 OUTLIER -55.6 -36.7 67.2 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.956 1.303 . . . . 6.0 114.136 178.57 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -75.44 -10.76 59.73 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.244 1.418 . . . . 6.0 114.532 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -134.79 -23.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 116.714 2.116 . . . . 6.0 116.714 -175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.7 145.2 56.18 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.044 1.498 . . . . 6.0 115.044 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 25.0 p -82.35 60.63 5.15 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.361 1.864 . . . . 6.0 108.928 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -13.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 130.462 3.505 . . . . 6.0 118.729 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -57.18 -28.92 63.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.054 1.742 . . . . 6.0 113.69 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -142.48 4.31 1.55 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.956 1.836 . . . . 6.0 115.956 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.75 130.94 93.99 Favored Pre-proline 0 CA--C 1.553 1.096 0 CA-C-N 119.934 1.243 . . . . 6.0 110.386 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -59.33 -25.42 78.32 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.41 2.74 . . . . 6.0 115.608 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.97 -38.84 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.233 0.924 . . . . 6.0 111.047 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 14.1 m -77.19 -37.68 53.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.435 1.494 . . . . 6.0 114.735 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 46.1 tp -48.6 -50.15 60.9 Favored Pre-proline 0 CA--C 1.549 0.939 0 N-CA-C 116.658 2.095 . . . . 6.0 116.658 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.4 -33.34 18.18 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 CA-C-N 122.49 1.925 . . . . 6.0 112.059 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 14.2 mt -69.97 -36.22 75.04 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.584 1.154 . . . . 6.0 111.316 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -58.14 -38.48 76.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.884 1.274 . . . . 6.0 110.472 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -79.69 -30.19 41.02 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.283 1.033 . . . . 6.0 112.607 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.74 56.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.143 1.377 . . . . 6.0 114.321 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 70.1 m -72.49 -18.68 61.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 6.0 113.274 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.24 160.17 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.128 1.371 . . . . 6.0 113.226 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -76.41 -19.3 58.24 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.409 1.084 . . . . 6.0 113.749 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 126.712 2.005 . . . . 6.0 111.423 -179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 121.215 0.341 . . . . 6.0 113.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 16.5 t -70.91 135.63 48.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.672 0.789 . . . . 6.0 111.829 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -139.03 156.77 46.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.902 1.681 . . . . 6.0 111.614 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -129.82 150.98 50.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.481 1.512 . . . . 6.0 111.446 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -84.92 -9.16 58.37 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.862 1.265 . . . . 6.0 114.165 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 25.0 p -74.7 159.39 32.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.678 1.591 . . . . 6.0 113.511 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 41.9 p -79.1 166.87 21.81 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.307 1.443 . . . . 6.0 112.071 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -78.6 58.49 2.25 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.633 1.173 . . . . 6.0 111.543 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.52 -14.0 46.72 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.374 1.47 . . . . 6.0 114.661 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.14 -16.49 48.66 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.882 1.229 . . . . 6.0 113.638 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.33 -13.17 61.79 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.191 1.396 . . . . 6.0 112.847 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 73.57 -29.22 0.87 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.385 1.945 . . . . 6.0 116.79 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.8 t -149.51 147.42 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.201 1.5 . . . . 6.0 111.942 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.74 -31.1 70.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.809 1.643 . . . . 6.0 111.847 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 85.7 p -68.39 -15.85 63.7 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.026 1.121 . . . . 6.0 114.026 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.31 -13.15 59.84 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.079 -1.013 . . . . 6.0 111.711 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.48 31.88 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.937 0.895 . . . . 6.0 112.43 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.93 -16.3 28.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.607 1.336 . . . . 6.0 114.607 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.76 -15.73 14.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.363 1.465 . . . . 6.0 114.662 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -14.89 62.65 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.411 1.263 . . . . 6.0 114.411 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 94.2 mt -144.11 161.06 39.78 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.199 2.6 . . . . 6.0 109.324 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.08 137.48 56.41 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.657 -0.652 . . . . 6.0 110.774 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 11.2 t80 -77.77 176.73 8.77 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.558 1.318 . . . . 6.0 114.558 -177.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -68.2 64.83 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 130.17 3.388 . . . . 6.0 114.205 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.01 -20.52 16.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.76 1.763 . . . . 6.0 115.76 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -76.91 -24.22 52.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.168 1.544 . . . . 6.0 115.168 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.62 176.68 9.89 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.119 2.168 . . . . 6.0 109.498 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -151.34 168.3 25.21 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.595 0.961 . . . . 6.0 113.595 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 10.03 25.67 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 117.099 2.259 . . . . 6.0 117.099 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.63 -14.47 14.88 Favored Glycine 0 CA--C 1.543 1.827 0 O-C-N 120.339 -1.476 . . . . 6.0 116.291 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.02 -37.91 23.31 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.469 1.655 . . . . 6.0 115.469 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -30.32 22.89 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.15 -10.05 31.69 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.451 1.1 . . . . 6.0 111.61 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.96 174.05 50.13 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.768 1.651 . . . . 6.0 114.34 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -77.44 -26.6 51.69 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.092 0.957 . . . . 6.0 113.153 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 78.8 p -133.93 156.29 48.39 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.853 1.661 . . . . 6.0 112.527 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 1.2 p -136.91 159.71 41.07 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.188 1.795 . . . . 6.0 111.535 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -72.4 114.56 30.86 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.902 1.281 . . . . 6.0 112.923 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -56.76 -21.01 37.77 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.131 2.554 . . . . 6.0 114.149 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.42 -22.05 67.2 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.205 0.907 . . . . 6.0 113.264 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -19.95 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.91 1.284 . . . . 6.0 112.037 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -68.84 127.95 34.93 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.532 1.533 . . . . 6.0 112.496 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 12.1 t -157.33 177.86 10.98 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.761 1.224 . . . . 6.0 110.834 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.75 137.28 49.5 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.021 -1.049 . . . . 6.0 108.918 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 353' ' ' ILE . 57.2 mt -58.78 -27.23 64.81 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.0 -1.062 . . . . 6.0 113.722 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.61 -16.54 57.08 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.135 -0.978 . . . . 6.0 113.306 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 47.7 m -100.67 6.81 44.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.166 1.787 . . . . 6.0 113.885 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.55 144.15 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.084 1.354 . . . . 6.0 112.99 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -99.2 69.91 1.74 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.829 1.252 . . . . 6.0 110.918 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -103.58 16.22 26.99 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.327 1.851 . . . . 6.0 114.828 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 62.0 p -57.24 -22.27 39.99 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.361 1.615 . . . . 6.0 115.361 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -89.34 -22.38 22.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.459 -0.775 . . . . 6.0 112.483 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.3 OUTLIER -67.86 -44.72 76.45 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.259 -0.9 . . . . 6.0 110.352 -178.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -56.24 -23.86 38.72 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.34 0.867 . . . . 6.0 113.34 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.26 -37.82 84.12 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.068 0.849 . . . . 6.0 111.688 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -33.41 31.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.742 0.701 . . . . 6.0 111.255 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -74.68 -13.36 60.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.1 1.148 . . . . 6.0 114.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -82.5 -15.07 53.78 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.293 1.037 . . . . 6.0 112.559 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -101.52 56.14 0.83 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.408 1.883 . . . . 6.0 112.373 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.63 -129.28 1.87 Allowed Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.298 -0.876 . . . . 6.0 113.314 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.76 110.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.892 . . . . 6.0 112.429 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 19.4 t -167.06 164.69 15.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.692 1.997 . . . . 6.0 110.274 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -102.33 -12.05 18.22 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.393 1.477 . . . . 6.0 112.154 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 19.4 m -158.63 151.38 22.15 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.542 1.937 . . . . 6.0 110.952 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -77.91 -6.89 55.8 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 57.2 p -82.4 6.5 16.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.373 1.869 . . . . 6.0 115.43 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 23.7 p -69.16 -9.17 51.53 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.311 1.967 . . . . 6.0 116.311 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.89 152.36 51.67 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.304 1.042 . . . . 6.0 113.285 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -97.59 134.51 22.41 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.52 1.528 . . . . 6.0 110.54 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo . . . . . 0 C--N 1.353 0.781 0 C-N-CA 123.727 2.951 . . . . 6.0 114.129 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.671 0.989 . . . . 6.0 113.671 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.2 p -85.83 -14.73 44.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.592 1.557 . . . . 6.0 114.088 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -68.78 144.6 42.13 Favored Glycine 0 CA--C 1.544 1.861 0 C-N-CA 124.252 0.93 . . . . 6.0 113.376 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.23 157.84 45.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.558 2.839 . . . . 6.0 112.971 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.0 t -73.37 -29.75 62.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.676 0.791 . . . . 6.0 112.865 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.52 36.38 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.413 1.885 . . . . 6.0 110.497 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -145.65 116.29 4.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.515 1.126 . . . . 6.0 112.086 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.01 -49.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.93 2.42 . . . . 6.0 114.555 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.26 -36.24 14.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.725 1.21 . . . . 6.0 114.156 -175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.76 -43.89 90.43 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.405 1.002 . . . . 6.0 109.208 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -51.67 -34.07 36.62 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.414 1.885 . . . . 6.0 112.556 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -67.11 -37.31 83.68 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 116.78 -1.581 . . . . 6.0 112.691 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 55.5 tp -77.02 -45.66 26.46 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.606 2.003 . . . . 6.0 111.019 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.486 HD12 ' HB3' ' B' ' 465' ' ' LEU . 3.5 pt -60.12 -32.21 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 120.574 1.534 . . . . 6.0 111.652 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.6 tt0 -82.43 -39.05 23.14 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.067 -1.021 . . . . 6.0 112.466 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.21 -35.55 81.17 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.103 1.32 . . . . 6.0 110.457 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' B' ' 473' ' ' PHE . 17.2 pt20 -73.82 -43.45 58.75 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.34 -0.838 . . . . 6.0 110.521 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -40.9 89.23 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.564 1.529 . . . . 6.0 112.453 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.9 p -64.42 -33.01 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.857 0.753 . . . . 6.0 110.943 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 383' ' ' HIS . 2.3 tt -81.31 -31.1 33.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.398 1.479 . . . . 6.0 112.206 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.01 -56.71 7.92 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.919 1.287 . . . . 6.0 108.917 174.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.68 -37.85 71.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.044 0.538 . . . . 6.0 110.324 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -60.83 -59.39 5.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 118.436 -0.792 . . . . 6.0 110.083 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.02 66.33 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.171 1.35 . . . . 6.0 114.432 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . 0.446 ' CE1' HD22 ' A' ' 391' ' ' LEU . 69.6 m80 -68.74 -38.44 80.15 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.313 -0.867 . . . . 6.0 112.027 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -83.48 -31.11 26.7 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.542 1.137 . . . . 6.0 112.576 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.05 -55.09 37.04 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.76 2.424 . . . . 6.0 112.581 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -63.71 -24.75 67.9 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.67 0.989 . . . . 6.0 113.67 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -90.06 -45.44 9.16 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.382 1.473 . . . . 6.0 114.205 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -59.46 -33.48 71.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.036 0.934 . . . . 6.0 113.487 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.98 -40.55 89.5 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.164 1.386 . . . . 6.0 111.874 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -83.45 -33.63 25.61 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.945 1.298 . . . . 6.0 112.037 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -75.3 -15.18 60.52 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.561 1.689 . . . . 6.0 115.561 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -134.06 161.8 33.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.738 1.215 . . . . 6.0 112.704 -177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.56 65.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 123.459 0.552 . . . . 6.0 112.936 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.07 146.95 23.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.221 1.808 . . . . 6.0 111.349 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 16.5 m -144.13 170.62 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 126.775 2.03 . . . . 6.0 111.478 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.2 160.76 25.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.071 0.949 . . . . 6.0 111.006 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -96.73 160.79 14.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.679 1.192 . . . . 6.0 113.102 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 99.2 m -48.92 143.1 5.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.944 1.698 . . . . 6.0 114.941 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 74.8 m -130.64 17.86 5.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.201 2.2 . . . . 6.0 111.41 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 66.6 mt -144.82 85.71 8.22 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 128.036 2.535 . . . . 6.0 108.199 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.22 -28.97 6.13 Favored 'Trans proline' 0 CA--C 1.541 0.857 1 C-N-CA 125.476 4.117 . . . . 6.0 117.743 -175.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 359' ' ' LEU . 14.2 m80 -68.99 -9.93 54.86 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.351 1.241 . . . . 6.0 114.351 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.2 t -48.49 -45.46 36.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.616 1.967 . . . . 6.0 112.234 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 63.5 mmt-85 -58.52 -45.48 88.73 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.893 -1.13 . . . . 6.0 112.506 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 5.9 m -68.94 -38.31 79.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.571 1.148 . . . . 6.0 111.342 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 15.5 tpp -75.5 -40.03 57.73 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.364 0.876 . . . . 6.0 113.364 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -56.74 -30.94 64.05 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 120.712 1.596 . . . . 6.0 112.956 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.26 -34.22 77.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.379 0.672 . . . . 6.0 111.55 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.5 t -71.04 -40.71 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.953 0.901 . . . . 6.0 109.315 173.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 364' ' ' HIS . 17.2 mt -59.63 -44.23 93.55 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.697 0.68 . . . . 6.0 111.228 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.22 -33.93 68.03 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.781 0.832 . . . . 6.0 112.011 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -75.16 -50.73 15.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.723 . . . . 6.0 110.429 173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.464 ' HE3' HD11 ' B' ' 452' ' ' LEU . 39.5 ttp -58.63 -21.95 55.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.762 1.625 . . . . 6.0 115.056 -175.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 1.2 p -63.37 -9.39 11.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.489 1.495 . . . . 6.0 113.427 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -105.82 -1.68 24.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.799 2.04 . . . . 6.0 113.473 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 68.7 m -112.65 105.55 13.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.198 1.799 . . . . 6.0 111.832 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -123.37 -0.81 8.71 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.653 1.181 . . . . 6.0 113.71 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -102.08 -27.6 12.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.287 1.435 . . . . 6.0 113.174 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 75.4 -62.66 2.65 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.729 1.633 . . . . 6.0 116.448 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.61 -22.74 67.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.244 1.572 . . . . 6.0 115.244 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.15 59.4 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.88 0.696 . . . . 6.0 112.88 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.12 145.64 33.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.895 1.278 . . . . 6.0 111.816 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -121.17 10.98 10.79 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.407 1.483 . . . . 6.0 113.838 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 61.2 t -82.46 133.67 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.283 1.033 . . . . 6.0 110.715 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.95 -65.59 0.54 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 6.0 114.506 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -69.47 -30.31 68.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.77 1.026 . . . . 6.0 113.77 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.33 -48.14 83.01 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.479 1.112 . . . . 6.0 110.754 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.14 -52.83 62.26 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.432 0.901 . . . . 6.0 113.432 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.3 80.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.05 -1.032 . . . . 6.0 112.408 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 49.1 m -65.96 -39.55 90.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.592 0.633 . . . . 6.0 111.297 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -61.57 -41.51 97.5 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 118.387 -0.816 . . . . 6.0 111.677 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -33.28 71.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.864 0.757 . . . . 6.0 112.782 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.61 -51.37 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 121.819 -0.551 . . . . 6.0 109.795 175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.423 HG23 HD11 ' B' ' 449' ' ' LEU . 51.5 mt -68.73 -39.09 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.246 0.618 . . . . 6.0 112.278 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.5 p -61.86 -36.66 81.89 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.696 1.135 . . . . 6.0 111.207 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -65.23 -51.1 63.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.014 -0.736 . . . . 6.0 109.014 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -38.64 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.787 1.635 . . . . 6.0 114.29 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -76.95 -7.8 56.24 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.068 1.347 . . . . 6.0 114.342 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -127.39 -28.03 2.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.539 1.681 . . . . 6.0 115.539 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 18.4 t -65.2 124.75 22.98 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.835 1.198 . . . . 6.0 111.46 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -120.02 3.53 10.97 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.047 1.739 . . . . 6.0 113.401 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -71.11 154.98 41.3 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.425 1.49 . . . . 6.0 112.896 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -102.06 -4.9 25.22 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.159 1.383 . . . . 6.0 113.866 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -134.61 16.44 3.64 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.418 1.487 . . . . 6.0 114.346 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.94 128.96 91.39 Favored Pre-proline 0 CA--C 1.553 1.076 0 O-C-N 121.266 -0.896 . . . . 6.0 109.698 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -59.41 -26.6 82.49 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.285 2.657 . . . . 6.0 115.737 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.08 -36.75 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.815 0.846 . . . . 6.0 112.018 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.57 -38.76 28.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.25 1.42 . . . . 6.0 113.673 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.5 tp -49.92 -46.82 81.33 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.923 1.689 . . . . 6.0 115.138 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . 0.428 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.1 Cg_exo -62.8 -41.63 29.34 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 121.95 1.732 . . . . 6.0 112.615 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.15 -35.86 74.34 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.855 0.752 . . . . 6.0 111.974 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -56.59 -30.69 63.47 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.292 1.437 . . . . 6.0 111.739 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -90.23 -43.69 10.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.789 1.236 . . . . 6.0 111.987 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -67.66 -18.4 64.93 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.433 1.642 . . . . 6.0 115.433 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 89.1 p -70.25 -17.11 63.11 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.837 1.051 . . . . 6.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.9 137.96 35.1 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.708 1.203 . . . . 6.0 112.037 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -58.29 -27.58 64.2 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.586 1.698 . . . . 6.0 115.586 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 126.443 1.897 . . . . 6.0 110.848 -179.041 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 CA-C-O 121.226 0.348 . . . . 6.0 113.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 19.9 m -58.51 -20.21 43.98 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.077 1.51 . . . . 6.0 115.077 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -84.34 -7.55 59.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.792 1.237 . . . . 6.0 114.054 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 60.1 ttm -59.54 142.53 52.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.709 1.204 . . . . 6.0 112.681 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -84.45 69.33 10.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.478 1.511 . . . . 6.0 109.205 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 51.1 m -65.99 137.09 56.88 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.501 1.52 . . . . 6.0 113.314 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 16.1 p -85.98 148.83 25.57 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.408 1.483 . . . . 6.0 111.563 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -121.07 -37.53 2.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.154 0.982 . . . . 6.0 113.195 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -157.4 152.99 26.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.576 1.55 . . . . 6.0 110.898 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 174.81 139.72 3.1 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.454 0.549 . . . . 6.0 113.588 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -147.07 147.98 31.17 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.094 1.758 . . . . 6.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -172.85 -141.84 3.6 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.126 0.87 . . . . 6.0 113.631 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 15.1 t -135.3 167.45 21.01 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.204 1.802 . . . . 6.0 110.567 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.39 -39.93 84.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.983 1.313 . . . . 6.0 113.01 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 72.8 p -67.98 -27.02 66.22 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.037 -1.665 . . . . 6.0 112.326 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -75.97 -36.73 59.17 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.877 -1.139 . . . . 6.0 110.045 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.43 70.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.37 1.068 . . . . 6.0 110.7 173.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.89 -49.82 16.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.957 1.703 . . . . 6.0 111.279 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.57 -21.82 65.42 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.14 1.904 . . . . 6.0 116.14 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.259 0.1 OUTLIER -103.79 15.15 29.42 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.256 1.946 . . . . 6.0 116.256 -177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 79.1 mt -119.99 163.87 16.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.535 1.534 . . . . 6.0 112.216 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.93 141.29 36.43 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.902 1.281 . . . . 6.0 111.745 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -119.79 -179.67 3.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 127.036 2.135 . . . . 6.0 112.861 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -31.5 -31.38 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.3 3.04 . . . . 6.0 117.79 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.71 70.02 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.34 1.056 . . . . 6.0 113.039 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -84.84 -51.35 6.82 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.701 1.2 . . . . 6.0 111.537 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -158.33 153.89 26.18 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.74 2.416 . . . . 6.0 108.104 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -141.71 159.96 41.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.942 1.46 . . . . 6.0 114.942 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 415' ' ' ILE . 2.7 pp -90.01 3.56 52.81 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 117.105 2.261 . . . . 6.0 117.105 -176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -48.74 -32.35 10.99 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 116.745 1.458 . . . . 6.0 116.745 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.15 60.53 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.237 1.199 . . . . 6.0 114.237 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.467 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -75.06 -39.52 60.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.407 1.083 . . . . 6.0 111.987 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . 0.467 ' N ' HD13 ' B' ' 452' ' ' LEU . 2.9 tp -79.4 -5.72 55.27 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.633 -0.667 . . . . 6.0 112.383 177.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 83.98 163.69 35.95 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.334 1.921 . . . . 6.0 114.915 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.29 -42.68 99.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.486 1.114 . . . . 6.0 111.961 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 17.9 m -117.66 136.77 53.1 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.519 1.528 . . . . 6.0 110.829 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 71.9 p -127.67 -167.47 1.75 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.018 1.727 . . . . 6.0 111.422 -176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -115.56 91.94 31.29 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.974 1.309 . . . . 6.0 111.793 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.02 -18.8 14.1 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.768 2.978 . . . . 6.0 114.824 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.27 61.49 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.218 -0.926 . . . . 6.0 113.166 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.67 -13.04 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.501 1.52 . . . . 6.0 112.524 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.49 132.05 51.2 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.157 1.383 . . . . 6.0 110.145 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.6 t -153.94 168.43 26.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.673 0.789 . . . . 6.0 112.059 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.69 121.18 14.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.661 1.184 . . . . 6.0 109.48 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 353' ' ' ILE . 44.9 mt -58.88 -30.27 67.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.156 0.798 . . . . 6.0 113.156 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.15 -4.91 8.41 Favored 'General case' 0 CA--C 1.553 1.065 0 O-C-N 121.251 -0.906 . . . . 6.0 113.394 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -119.79 10.72 11.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 127.074 2.15 . . . . 6.0 112.938 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.95 142.46 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.738 -1.226 . . . . 6.0 112.942 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -89.11 69.94 8.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.757 1.223 . . . . 6.0 111.062 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -106.16 13.62 28.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.695 1.598 . . . . 6.0 114.4 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.4 p -59.6 -22.51 61.9 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.095 1.146 . . . . 6.0 114.095 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -85.84 -31.56 22.2 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.247 -0.908 . . . . 6.0 111.455 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 356' ' ' GLN . 0.9 OUTLIER -71.83 -32.97 68.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.485 1.114 . . . . 6.0 109.765 174.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -49.46 -43.57 45.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.724 1.21 . . . . 6.0 111.542 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.37 -23.86 65.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.138 1.162 . . . . 6.0 114.138 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -48.04 14.25 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.605 1.562 . . . . 6.0 109.658 175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.62 -21.29 45.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.965 1.098 . . . . 6.0 113.965 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.01 -12.89 55.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.425 1.09 . . . . 6.0 112.362 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.92 -11.81 31.48 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 121.409 -0.807 . . . . 6.0 113.026 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 88.64 146.73 13.03 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.964 1.745 . . . . 6.0 115.439 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 17.0 m -109.94 154.91 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 126.087 1.755 . . . . 6.0 112.858 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 60.4 p -149.11 148.19 29.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.367 1.867 . . . . 6.0 109.605 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -80.34 44.59 0.7 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.477 1.111 . . . . 6.0 113.5 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 21.4 t -159.69 153.45 22.9 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.428 1.491 . . . . 6.0 111.948 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -92.33 -6.84 49.43 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.72 1.208 . . . . 6.0 112.562 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 99.1 p -72.26 166.0 23.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.824 1.65 . . . . 6.0 114.451 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 32.9 p -132.34 154.54 49.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.328 1.851 . . . . 6.0 111.284 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.45 157.98 44.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.767 1.227 . . . . 6.0 112.445 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -149.08 135.9 10.59 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.385 1.474 . . . . 6.0 110.187 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--N 1.353 0.778 0 C-N-CA 123.436 2.757 . . . . 6.0 113.976 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.828 0.677 . . . . 6.0 112.828 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 25.2 p -77.26 -18.73 57.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.938 1.295 . . . . 6.0 114.165 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 75.72 178.92 44.41 Favored Glycine 0 CA--C 1.543 1.844 0 C-N-CA 124.878 1.228 . . . . 6.0 114.955 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -72.52 161.55 43.85 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 124.144 3.23 . . . . 6.0 113.203 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 14.0 t -69.55 -24.25 63.69 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.269 1.028 . . . . 6.0 113.239 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -137.82 149.11 46.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.539 1.936 . . . . 6.0 110.456 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.3 143.13 93.26 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 121.623 -0.673 . . . . 6.0 112.549 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.9 -22.86 55.46 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.087 2.525 . . . . 6.0 114.612 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.69 -43.71 58.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.964 1.256 . . . . 6.0 112.707 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -43.56 88.88 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.201 -0.666 . . . . 6.0 109.201 172.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -63.37 -46.82 84.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.234 1.014 . . . . 6.0 112.518 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -62.54 -41.4 98.85 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.726 1.148 . . . . 6.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . 0.25 0.3 OUTLIER -79.63 -38.63 33.35 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 116.635 -1.65 . . . . 6.0 113.617 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.1 pt -63.13 -37.6 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 122.222 2.283 . . . . 6.0 110.797 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.69 -41.78 83.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.332 0.653 . . . . 6.0 111.13 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -70.41 -38.59 74.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.46 -0.775 . . . . 6.0 111.556 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -68.26 -45.9 71.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.445 1.02 . . . . 6.0 110.586 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.41 -41.27 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.525 1.057 . . . . 6.0 111.441 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -33.89 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.839 0.745 . . . . 6.0 111.56 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 -34.73 66.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 6.0 111.369 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.8 -60.05 3.78 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 124.429 1.092 . . . . 6.0 108.418 172.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.41 -38.19 65.95 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.917 -0.563 . . . . 6.0 111.462 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -59.48 -57.91 10.9 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.835 0.743 . . . . 6.0 110.216 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -57.57 -32.57 67.26 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.99 1.107 . . . . 6.0 113.99 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.8 m80 -69.8 -31.67 69.7 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.321 -0.862 . . . . 6.0 112.779 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -90.15 -35.24 15.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.151 1.78 . . . . 6.0 112.909 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 47.7 t -54.53 -54.96 34.2 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.774 2.43 . . . . 6.0 112.267 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.08 -15.07 63.44 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.836 1.05 . . . . 6.0 113.836 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.13 -47.28 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.089 1.755 . . . . 6.0 113.81 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.07 -17.0 64.41 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 116.11 1.892 . . . . 6.0 116.11 -175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.65 -19.54 62.41 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.716 1.006 . . . . 6.0 113.716 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -85.95 -14.82 43.51 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.047 0.939 . . . . 6.0 112.912 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -107.52 -6.66 16.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.451 1.9 . . . . 6.0 114.123 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -127.32 145.85 50.65 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.521 1.528 . . . . 6.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -69.93 -29.19 71.01 Favored Glycine 0 CA--C 1.537 1.466 0 O-C-N 121.936 -0.478 . . . . 6.0 112.77 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -155.36 156.7 35.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.382 2.273 . . . . 6.0 110.032 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 20.5 t -133.0 136.1 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.655 1.182 . . . . 6.0 109.342 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -73.57 165.46 25.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 6.0 113.297 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.85 137.06 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.856 0.862 . . . . 6.0 112.465 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.39 131.53 49.54 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.568 1.147 . . . . 6.0 112.319 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 4.1 p -79.85 -8.58 59.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.603 1.161 . . . . 6.0 112.3 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 80.5 mt -114.58 93.22 31.84 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 127.219 2.207 . . . . 6.0 107.96 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.5 -18.92 56.82 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.751 2.967 . . . . 6.0 116.909 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -72.46 -9.84 59.05 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.254 1.205 . . . . 6.0 114.254 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 51.0 t -41.83 -52.18 4.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.468 2.307 . . . . 6.0 113.172 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.25 -45.47 91.09 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.347 1.059 . . . . 6.0 113.503 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 17.8 m -69.56 -38.71 77.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.581 0.752 . . . . 6.0 111.269 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.9 tpp -71.96 -36.79 69.95 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.629 -0.67 . . . . 6.0 112.155 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -57.06 -31.16 64.92 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.226 -1.546 . . . . 6.0 113.08 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -67.71 -33.06 74.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.324 0.65 . . . . 6.0 111.382 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.84 -39.15 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.23 1.012 . . . . 6.0 109.347 173.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 364' ' ' HIS . 12.0 mt -60.96 -42.11 97.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.596 0.635 . . . . 6.0 111.264 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.29 -37.17 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.563 0.745 . . . . 6.0 111.843 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -71.33 -48.47 50.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.306 0.642 . . . . 6.0 110.174 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 34.7 ttp -62.74 -22.52 66.61 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.36 1.615 . . . . 6.0 115.36 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -18.95 64.95 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.489 1.95 . . . . 6.0 112.212 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -108.02 -17.16 14.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.291 1.837 . . . . 6.0 113.629 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.95 131.5 46.8 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.086 1.754 . . . . 6.0 113.01 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 14.02 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.744 1.618 . . . . 6.0 113.342 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.24 9.89 2.82 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.318 1.97 . . . . 6.0 116.318 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 64.12 -127.87 35.99 Favored Glycine 0 CA--C 1.533 1.17 0 O-C-N 120.711 -1.243 . . . . 6.0 113.79 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -70.6 -8.23 50.1 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.647 1.351 . . . . 6.0 114.647 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.77 74.33 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.145 0.884 . . . . 6.0 112.542 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 11.1 t -73.63 126.73 30.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.843 0.857 . . . . 6.0 109.878 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.03 4.21 49.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.571 1.148 . . . . 6.0 113.702 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.19 120.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.14 0.976 . . . . 6.0 109.331 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.27 68.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.736 1.215 . . . . 6.0 113.544 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.94 -38.57 83.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 118.689 -0.672 . . . . 6.0 112.142 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.47 -53.82 46.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.514 1.126 . . . . 6.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.59 72.52 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.203 1.001 . . . . 6.0 113.333 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 88.3 p -70.31 -34.71 73.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.048 0.84 . . . . 6.0 112.629 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -45.48 85.89 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.122 1.328 . . . . 6.0 110.52 175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -60.98 -36.05 78.41 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.846 0.859 . . . . 6.0 111.711 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -63.4 -34.37 77.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.117 0.967 . . . . 6.0 111.358 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 40.9 mm -69.41 -55.97 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.675 0.671 . . . . 6.0 109.588 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.19 -40.07 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.494 0.718 . . . . 6.0 112.042 -175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 38.5 m -60.7 -38.48 85.16 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.087 0.858 . . . . 6.0 111.485 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -69.14 -48.25 62.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.501 0.591 . . . . 6.0 109.493 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.86 -38.24 69.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.216 1.406 . . . . 6.0 113.821 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 454' ' ' GLY . 9.6 mtpm? -71.73 -18.55 62.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.407 1.483 . . . . 6.0 114.084 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -117.69 -24.46 7.22 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.962 1.838 . . . . 6.0 115.962 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 33.3 t -74.75 115.87 14.82 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.755 1.161 . . . . 6.0 111.982 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 75.6 p -120.0 -10.02 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.919 1.688 . . . . 6.0 114.126 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -70.42 135.26 48.57 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.488 1.115 . . . . 6.0 111.612 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -79.97 19.43 0.7 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.546 1.538 . . . . 6.0 114.683 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.06 8.7 2.98 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.805 1.409 . . . . 6.0 114.805 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.01 125.66 92.14 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-N 119.602 1.092 . . . . 6.0 108.715 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.21 -34.78 77.63 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.508 2.805 . . . . 6.0 116.447 -171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 22.2 t -83.4 -32.33 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.182 0.901 . . . . 6.0 111.067 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 45.6 m -74.65 -31.43 61.95 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.202 1.401 . . . . 6.0 112.498 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -54.92 16.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.746 1.618 . . . . 6.0 115.267 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.72 -33.28 54.97 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.877 1.718 . . . . 6.0 112.603 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.5 mm? -72.42 -32.99 66.79 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.07 0.85 . . . . 6.0 111.611 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -62.93 -39.7 95.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.662 1.185 . . . . 6.0 109.673 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -70.16 -34.58 73.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.962 0.905 . . . . 6.0 111.666 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.82 -28.35 64.56 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.401 -0.812 . . . . 6.0 112.098 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 39.8 m -77.05 -33.66 57.26 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.794 1.238 . . . . 6.0 112.152 177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -152.91 118.77 5.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.008 1.323 . . . . 6.0 110.783 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -2.7 17.98 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.777 1.769 . . . . 6.0 115.777 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 . . . . . 0 N--CA 1.48 1.062 0 C-N-CA 126.593 1.957 . . . . 6.0 111.727 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 N-CA-C 114.012 0.365 . . . . 6.0 114.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 30.8 m -77.52 54.38 1.17 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.942 1.697 . . . . 6.0 113.228 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -70.73 157.01 38.78 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.247 1.419 . . . . 6.0 112.886 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 96.9 mtp -70.68 148.0 48.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 6.0 112.028 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -116.68 14.48 15.38 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.593 1.557 . . . . 6.0 114.214 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 24.3 m -60.23 136.82 58.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.819 1.248 . . . . 6.0 112.881 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 40.5 p -93.21 -16.6 24.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.042 1.337 . . . . 6.0 114.573 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.3 141.49 41.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.094 0.958 . . . . 6.0 112.24 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -152.51 161.64 42.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.624 1.57 . . . . 6.0 111.806 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -177.66 159.39 25.29 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.499 1.047 . . . . 6.0 113.386 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.03 147.66 27.4 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.39 1.476 . . . . 6.0 110.766 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 74.15 30.68 60.57 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.287 0.946 . . . . 6.0 114.004 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 77.8 p -74.25 -3.44 30.01 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.599 1.559 . . . . 6.0 114.468 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.27 1.13 3.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 115.422 1.638 . . . . 6.0 115.422 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 71.5 p -55.67 -9.85 0.6 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.553 1.941 . . . . 6.0 115.878 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -72.86 -21.48 60.93 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.395 -1.44 . . . . 6.0 110.651 172.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -51.76 -33.61 35.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.114 1.766 . . . . 6.0 113.272 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 pp -91.03 -9.84 44.39 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 115.214 1.561 . . . . 6.0 115.214 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 92.9 mt -104.61 -26.21 12.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.977 1.311 . . . . 6.0 113.346 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.15 8.94 41.45 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.505 1.298 . . . . 6.0 114.505 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 59.9 tp -141.86 154.46 45.17 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.646 1.978 . . . . 6.0 110.877 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -64.61 150.3 47.22 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.994 0.518 . . . . 6.0 111.564 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.448 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 13.7 t80 -130.75 -179.98 5.62 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.549 1.14 . . . . 6.0 112.662 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -59.68 9.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 118.126 2.639 . . . . 6.0 118.126 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.88 58.49 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.64 1.176 . . . . 6.0 112.67 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -80.56 -46.03 16.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.549 0.74 . . . . 6.0 111.911 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -164.77 170.44 15.5 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.799 2.44 . . . . 6.0 108.859 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.12 167.87 21.1 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.98 1.474 . . . . 6.0 114.98 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.15 0.21 52.46 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 118.118 2.636 . . . . 6.0 118.118 -173.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.18 -30.91 2.89 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 117.344 1.698 . . . . 6.0 117.344 -173.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.05 68.75 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.831 1.789 . . . . 6.0 115.831 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -35.27 42.6 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 120.349 1.432 . . . . 6.0 113.17 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -27.3 25.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.058 0.943 . . . . 6.0 112.086 -175.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 419' ' ' LYS . . . 74.56 153.68 3.44 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.252 1.406 . . . . 6.0 114.606 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -71.39 -22.75 61.83 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.016 1.117 . . . . 6.0 114.016 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 20.4 m -81.07 48.51 1.12 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.848 1.659 . . . . 6.0 114.071 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 5.6 p -69.95 145.32 51.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.03 0.932 . . . . 6.0 112.883 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -83.19 113.41 45.96 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.502 1.521 . . . . 6.0 112.789 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -56.93 -21.69 42.37 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.025 2.484 . . . . 6.0 114.046 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -64.8 -21.98 67.9 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.103 0.858 . . . . 6.0 113.493 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -21.21 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.61 1.205 . . . . 6.0 112.15 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.02 130.67 43.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.991 1.716 . . . . 6.0 111.185 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 5.6 t -157.38 174.66 15.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.889 1.276 . . . . 6.0 110.325 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.85 134.26 51.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.55 -0.719 . . . . 6.0 110.007 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.87 -32.54 65.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.17 -0.957 . . . . 6.0 113.175 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -74.56 0.06 16.11 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.542 0.942 . . . . 6.0 113.542 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 32.9 m -122.13 12.83 10.38 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.113 2.165 . . . . 6.0 112.709 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.31 138.59 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.388 1.475 . . . . 6.0 112.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.87 70.01 1.59 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.981 1.312 . . . . 6.0 111.419 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -98.2 26.01 5.71 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.042 1.737 . . . . 6.0 114.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 50.5 p -38.28 -54.66 1.4 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.75 2.02 . . . . 6.0 116.244 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -77.31 -23.21 51.07 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.884 -1.135 . . . . 6.0 112.944 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.54 72.09 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.221 -0.924 . . . . 6.0 109.335 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.67 -44.55 93.56 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.64 -0.662 . . . . 6.0 110.772 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -67.43 -35.57 79.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.64 1.176 . . . . 6.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.84 -50.08 65.86 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.277 1.031 . . . . 6.0 110.333 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -79.25 -17.02 55.55 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.511 1.3 . . . . 6.0 114.511 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -67.79 -20.5 65.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.964 -1.085 . . . . 6.0 112.044 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -81.8 27.97 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.261 1.424 . . . . 6.0 113.312 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 170.58 -138.38 4.94 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.098 1.332 . . . . 6.0 112.268 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.1 p -52.44 117.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.696 1.198 . . . . 6.0 113.303 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 18.1 t -166.18 -161.71 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.434 2.293 . . . . 6.0 108.441 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.33 -32.7 64.91 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.186 1.395 . . . . 6.0 112.502 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 46.6 m -77.91 72.01 4.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.37 1.468 . . . . 6.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -57.36 -26.28 60.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.297 1.439 . . . . 6.0 113.706 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 43.8 p -72.07 -16.26 62.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.017 1.327 . . . . 6.0 113.704 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 75.5 p -130.92 38.13 3.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.449 1.9 . . . . 6.0 111.329 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.81 15.58 0.08 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.091 1.885 . . . . 6.0 116.091 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.17 148.28 40.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.836 1.654 . . . . 6.0 112.143 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 C-N-CA 123.393 2.728 . . . . 6.0 112.361 179.578 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.651 0.982 . . . . 6.0 113.651 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 40.8 p -85.88 -14.05 46.06 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.631 1.572 . . . . 6.0 114.052 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -74.03 169.56 53.7 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.621 1.105 . . . . 6.0 114.436 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.27 162.32 42.87 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.905 3.07 . . . . 6.0 112.685 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.2 p -72.02 -22.1 61.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.5 1.12 . . . . 6.0 113.513 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -146.85 150.7 35.79 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.064 1.746 . . . . 6.0 111.357 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.31 135.68 61.39 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.607 0.763 . . . . 6.0 110.272 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -63.14 -42.86 21.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.728 2.285 . . . . 6.0 114.253 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.37 -35.59 73.62 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.681 -1.262 . . . . 6.0 111.827 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.64 -46.52 89.98 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.098 -0.704 . . . . 6.0 109.098 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -56.66 -46.69 80.92 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.363 1.465 . . . . 6.0 110.968 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.41 -47.93 75.16 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.652 1.115 . . . . 6.0 112.369 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -41.99 61.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.566 -1.207 . . . . 6.0 113.359 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.4 pt -64.18 -38.54 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 121.241 1.837 . . . . 6.0 111.626 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -63.44 -41.09 98.67 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.553 1.069 . . . . 6.0 109.919 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -69.48 -36.16 76.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 6.0 112.205 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.17 -48.87 55.45 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.895 1.225 . . . . 6.0 109.75 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.13 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.961 1.704 . . . . 6.0 110.249 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -63.1 -31.55 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.778 0.659 . . . . 6.0 112.778 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 3.4 tt -79.16 -33.27 44.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.993 1.317 . . . . 6.0 112.527 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.84 -56.9 10.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.807 1.243 . . . . 6.0 108.999 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.43 -33.71 71.58 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 122.582 0.353 . . . . 6.0 111.301 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -62.43 -59.07 5.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.992 0.517 . . . . 6.0 109.763 172.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.56 63.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.324 1.231 . . . . 6.0 114.324 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.0 -40.31 87.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.407 -0.808 . . . . 6.0 112.675 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -90.05 -23.33 21.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.232 1.197 . . . . 6.0 114.232 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 50.3 t -55.55 -51.21 67.83 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.48 1.912 . . . . 6.0 111.614 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -74.47 -17.66 60.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.605 1.162 . . . . 6.0 113.889 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -90.03 -40.64 12.18 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.049 1.74 . . . . 6.0 114.565 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -62.5 -16.24 54.53 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.275 1.954 . . . . 6.0 116.275 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.13 -18.07 56.12 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.752 1.019 . . . . 6.0 113.752 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.44 -14.61 37.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.11 0.964 . . . . 6.0 112.796 175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -102.52 -40.08 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.778 1.631 . . . . 6.0 112.99 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.66 144.6 30.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.622 1.169 . . . . 6.0 112.007 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.39 -20.11 78.05 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 123.569 0.605 . . . . 6.0 113.635 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.63 151.64 34.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.989 2.116 . . . . 6.0 110.105 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.48 141.65 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.908 1.283 . . . . 6.0 110.263 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -90.93 164.48 13.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.238 1.415 . . . . 6.0 113.457 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.88 148.53 51.64 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.908 1.283 . . . . 6.0 113.002 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.65 144.2 57.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.365 1.466 . . . . 6.0 113.687 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 59.9 p -94.53 -9.04 36.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.579 1.552 . . . . 6.0 112.717 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 90.7 mt -122.42 96.1 46.31 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.968 2.107 . . . . 6.0 109.869 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.47 -26.74 22.51 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.409 3.406 . . . . 6.0 117.741 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.22 -10.06 59.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.388 1.255 . . . . 6.0 114.388 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.7 t -48.64 -49.8 35.72 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.401 1.88 . . . . 6.0 112.869 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.5 -45.96 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.28 1.032 . . . . 6.0 113.141 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 21.1 m -72.23 -40.31 67.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 6.0 111.53 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.7 tpp -69.06 -37.08 78.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.522 -0.736 . . . . 6.0 111.992 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -57.96 -31.97 67.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.289 -1.507 . . . . 6.0 112.75 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -67.56 -32.77 73.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.153 0.581 . . . . 6.0 111.255 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.9 t -71.1 -43.2 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.022 0.929 . . . . 6.0 109.101 173.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.78 -43.75 85.76 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.427 0.558 . . . . 6.0 111.034 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -57.25 -35.84 70.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.701 0.8 . . . . 6.0 112.587 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -74.3 -47.91 31.73 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.734 0.778 . . . . 6.0 110.201 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.445 ' HE3' HD11 ' B' ' 452' ' ' LEU . 43.0 ttp -60.18 -22.66 63.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.082 1.753 . . . . 6.0 114.587 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -66.44 -18.23 65.24 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 120.969 1.713 . . . . 6.0 112.031 175.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -106.8 -29.97 9.21 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.244 1.818 . . . . 6.0 112.815 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.0 t -88.3 133.06 34.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.172 1.389 . . . . 6.0 112.722 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.75 5.34 0.78 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.219 1.563 . . . . 6.0 115.219 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.85 11.47 2.17 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.947 1.832 . . . . 6.0 115.947 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . 0.496 ' HA2' ' HE ' ' A' ' 412' ' ' ARG . . . 55.87 -112.5 3.2 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.632 1.11 . . . . 6.0 114.309 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.87 -19.47 65.74 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.96 1.704 . . . . 6.0 114.759 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.96 -31.23 68.86 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.085 0.772 . . . . 6.0 113.085 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.95 130.1 39.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.545 0.738 . . . . 6.0 110.649 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -93.26 3.44 55.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.696 1.198 . . . . 6.0 113.377 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 82.0 t -76.63 123.7 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.146 0.979 . . . . 6.0 108.88 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -42.37 -58.0 2.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.193 1.797 . . . . 6.0 115.391 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.31 -16.44 35.08 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.77 1.767 . . . . 6.0 115.77 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.43 -57.89 9.62 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.089 1.313 . . . . 6.0 111.786 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.47 97.12 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.323 0.861 . . . . 6.0 113.323 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 99.3 p -69.59 -31.39 69.5 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.342 0.974 . . . . 6.0 112.62 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 65.5 m -71.54 -49.6 39.31 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.267 0.939 . . . . 6.0 110.647 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.496 ' HE ' ' HA2' ' A' ' 400' ' ' GLY . 25.5 ttp-105 -55.51 -39.05 70.0 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 6.0 111.475 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.28 -35.65 74.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.856 1.262 . . . . 6.0 112.806 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 8.3 mm -69.48 -46.96 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.454 1.025 . . . . 6.0 109.886 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.93 -43.19 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.613 1.165 . . . . 6.0 111.73 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 74.2 m -59.72 -39.03 83.29 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.863 0.756 . . . . 6.0 111.123 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -65.99 -47.05 75.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.391 0.677 . . . . 6.0 109.602 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -56.13 -37.56 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.102 1.361 . . . . 6.0 113.657 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -73.25 -12.81 60.99 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.28 1.432 . . . . 6.0 114.351 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -125.38 -27.06 3.51 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.681 1.734 . . . . 6.0 115.681 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.28 116.62 18.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.464 1.029 . . . . 6.0 112.152 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 68.9 p -120.0 -4.93 10.07 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.138 1.775 . . . . 6.0 113.558 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -69.23 126.58 30.22 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.539 1.536 . . . . 6.0 111.324 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -77.63 12.82 1.48 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.684 1.364 . . . . 6.0 114.684 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -129.96 6.15 5.02 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.684 1.594 . . . . 6.0 114.258 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.56 122.91 84.14 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 106.589 -1.634 . . . . 6.0 106.589 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -58.64 -37.62 93.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.375 2.717 . . . . 6.0 117.708 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 39.0 t -89.96 -27.18 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.947 1.249 . . . . 6.0 111.992 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 43.8 m -73.79 -36.26 65.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.629 1.172 . . . . 6.0 110.941 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 mt -43.67 -57.83 5.26 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 126.51 1.924 . . . . 6.0 114.877 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -66.14 -29.19 47.97 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 CA-C-N 121.743 1.658 . . . . 6.0 114.322 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.0 -44.05 77.48 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.695 1.589 . . . . 6.0 108.8 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.33 -37.13 79.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.247 1.419 . . . . 6.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.37 -52.52 21.87 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.449 1.1 . . . . 6.0 111.514 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.18 66.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.942 1.297 . . . . 6.0 114.202 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.4 m -66.25 -19.59 65.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.958 0.903 . . . . 6.0 113.384 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -85.47 90.02 7.85 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.229 1.012 . . . . 6.0 111.483 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -76.07 -4.4 41.19 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.991 1.317 . . . . 6.0 114.392 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 127.406 2.282 . . . . 6.0 113.613 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 N-CA-C 114.745 0.658 . . . . 6.0 114.745 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 22.7 m -68.28 -8.38 39.03 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.51 1.524 . . . . 6.0 114.8 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -69.1 -21.27 64.06 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.973 1.309 . . . . 6.0 113.569 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.33 159.32 42.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.511 1.524 . . . . 6.0 112.891 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -150.13 102.57 3.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.969 1.708 . . . . 6.0 109.59 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 66.9 m -93.89 161.54 14.27 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.984 1.313 . . . . 6.0 111.77 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 35.4 m -124.18 144.72 49.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.108 1.363 . . . . 6.0 111.976 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.21 155.23 46.61 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.383 2.273 . . . . 6.0 110.028 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -145.17 143.28 30.24 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.206 0.817 . . . . 6.0 113.206 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -105.91 -174.74 23.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.947 1.737 . . . . 6.0 113.093 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.2 138.53 40.28 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.585 1.554 . . . . 6.0 110.391 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 160.79 -151.24 21.65 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.769 1.176 . . . . 6.0 112.723 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 8.0 t -136.42 150.15 48.62 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.542 1.537 . . . . 6.0 110.669 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 5.19 23.48 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.598 1.559 . . . . 6.0 114.788 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 99.8 p -52.29 -24.92 8.22 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.229 1.566 . . . . 6.0 115.229 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.17 -36.0 82.17 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.846 -1.159 . . . . 6.0 111.033 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -66.79 -18.14 65.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.649 1.18 . . . . 6.0 112.444 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.93 -44.47 9.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.214 2.206 . . . . 6.0 112.0 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.82 -17.48 57.39 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.844 1.794 . . . . 6.0 115.844 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.265 0.3 OUTLIER -94.6 10.35 35.13 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 118.179 2.659 . . . . 6.0 118.179 -174.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.34 171.06 15.57 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.883 1.22 . . . . 6.0 113.984 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -90.68 157.54 17.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.419 1.488 . . . . 6.0 112.978 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -119.91 -179.81 4.03 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.0 1.72 . . . . 6.0 113.709 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.5 31.72 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 118.537 2.791 . . . . 6.0 118.537 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -85.75 -31.64 22.29 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.563 -1.336 . . . . 6.0 111.833 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.54 -39.45 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.737 1.215 . . . . 6.0 113.15 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -149.88 164.12 36.24 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.942 2.497 . . . . 6.0 108.352 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -149.48 149.56 30.96 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.451 1.023 . . . . 6.0 113.76 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 4.98 5.47 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.262 2.225 . . . . 6.0 116.522 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.66 8.7 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.131 1.612 . . . . 6.0 117.131 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -87.04 -11.28 50.82 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.88 1.437 . . . . 6.0 114.88 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR . 0.0 OUTLIER -72.25 -27.93 62.82 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.152 -0.967 . . . . 6.0 113.54 -177.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.42 -11.09 59.17 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.195 0.813 . . . . 6.0 113.195 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 93.12 -166.74 28.68 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.834 1.207 . . . . 6.0 114.219 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.04 -31.7 70.68 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.865 1.431 . . . . 6.0 114.865 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 9.6 t -151.81 151.1 30.9 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.491 1.116 . . . . 6.0 111.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 68.4 p -112.92 -170.74 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.801 2.041 . . . . 6.0 112.343 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -114.9 91.06 24.88 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.224 1.41 . . . . 6.0 111.654 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.61 -20.62 16.92 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.371 2.714 . . . . 6.0 114.566 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -68.4 -21.03 74.05 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.039 0.828 . . . . 6.0 113.8 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -7.27 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.982 1.313 . . . . 6.0 112.139 176.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -67.45 129.58 40.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.805 1.242 . . . . 6.0 109.959 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.1 t -159.67 175.85 12.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.078 0.951 . . . . 6.0 111.376 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -74.32 142.37 45.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.805 0.842 . . . . 6.0 110.159 174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -34.81 45.62 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.711 1.204 . . . . 6.0 112.998 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -68.65 -11.11 59.72 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.246 1.202 . . . . 6.0 114.246 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 66.5 m -113.45 12.98 18.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.535 1.934 . . . . 6.0 113.605 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.55 139.7 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.252 1.421 . . . . 6.0 113.029 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -93.9 69.88 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.113 0.965 . . . . 6.0 111.627 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -107.93 23.52 14.35 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.491 1.663 . . . . 6.0 115.491 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 67.1 p -52.39 -31.63 34.99 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.357 1.614 . . . . 6.0 115.357 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.88 -21.48 22.5 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.085 -1.009 . . . . 6.0 112.773 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -25.05 65.4 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.657 -1.277 . . . . 6.0 110.613 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.34 -37.34 69.86 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.312 -0.867 . . . . 6.0 112.157 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.64 -35.39 72.87 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.462 0.705 . . . . 6.0 112.688 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.72 -48.98 51.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 6.0 109.715 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . 0.268 35.5 mt -75.87 -1.87 27.4 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.514 1.672 . . . . 6.0 115.514 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.1 -19.62 26.79 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.206 -0.934 . . . . 6.0 111.62 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -88.48 56.98 4.01 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.09 1.756 . . . . 6.0 112.176 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 160.31 -122.09 1.09 Allowed Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.663 1.125 . . . . 6.0 111.845 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.18 97.1 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.124 0.97 . . . . 6.0 110.777 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 34.7 t -151.44 163.55 38.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.0 1.72 . . . . 6.0 111.654 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 26.2 mmt -74.32 -15.63 60.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.374 1.07 . . . . 6.0 112.39 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.6 m -112.97 144.66 42.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.772 1.629 . . . . 6.0 111.789 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -153.06 163.66 39.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.026 1.33 . . . . 6.0 112.042 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 86.2 p -81.27 166.2 20.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.216 -0.927 . . . . 6.0 111.793 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 7.9 p -68.05 -9.95 49.94 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.107 -0.996 . . . . 6.0 113.237 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.6 -0.31 56.23 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.616 1.567 . . . . 6.0 113.064 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -131.96 155.76 80.96 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.492 1.517 . . . . 6.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.352 0.723 0 C-N-CA 123.617 2.878 . . . . 6.0 112.979 179.044 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.936 0 N-CA-C 113.71 1.004 . . . . 6.0 113.71 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 11.8 t -150.47 163.25 38.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.868 1.667 . . . . 6.0 111.894 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 76.91 -173.81 54.61 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.742 1.163 . . . . 6.0 114.751 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.59 164.69 34.44 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.189 3.26 . . . . 6.0 113.286 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.2 p -72.59 -29.36 63.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.303 1.041 . . . . 6.0 112.195 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -79.37 144.19 34.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.71 1.204 . . . . 6.0 111.584 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.31 143.48 16.95 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.852 1.261 . . . . 6.0 110.331 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.19 -36.14 96.1 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.699 2.266 . . . . 6.0 113.46 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.04 -29.12 62.75 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.78 -1.2 . . . . 6.0 111.964 178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -65.62 -44.73 85.58 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.254 -1.017 . . . . 6.0 108.254 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.41 -33.8 74.3 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.102 1.361 . . . . 6.0 111.566 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.11 -45.07 67.7 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 117.536 -1.221 . . . . 6.0 111.226 172.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -41.74 90.32 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.002 1.728 . . . . 6.0 112.508 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.7 pt -62.12 -29.26 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 121.137 1.789 . . . . 6.0 112.201 176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -79.45 -42.59 25.02 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.915 0.78 . . . . 6.0 111.337 175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.53 -39.8 67.24 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.573 1.149 . . . . 6.0 112.28 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -65.5 -38.66 90.36 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.046 -1.034 . . . . 6.0 109.148 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.91 -50.98 62.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.563 1.145 . . . . 6.0 110.489 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -34.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.145 0.884 . . . . 6.0 111.636 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 383' ' ' HIS . 4.4 tt -75.75 -36.9 59.74 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.197 1.399 . . . . 6.0 112.483 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.65 -54.0 27.95 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.813 1.245 . . . . 6.0 110.068 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.18 -33.04 71.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.332 0.515 . . . . 6.0 110.901 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -64.03 -57.95 8.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.94 -0.552 . . . . 6.0 109.754 171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.99 -40.8 64.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.506 1.122 . . . . 6.0 113.299 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.574 0.75 . . . . 6.0 112.356 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -82.91 -27.15 30.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.434 1.094 . . . . 6.0 112.443 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.34 -48.37 78.29 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.931 1.693 . . . . 6.0 109.996 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -65.65 -22.52 66.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.805 -1.184 . . . . 6.0 112.082 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.68 -36.54 43.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.861 1.264 . . . . 6.0 112.537 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -75.68 -32.81 60.29 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.903 0.774 . . . . 6.0 111.227 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.03 -43.23 99.19 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.248 1.419 . . . . 6.0 112.03 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -78.46 -8.62 58.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.483 0.92 . . . . 6.0 113.483 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -104.89 -12.48 16.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.735 1.614 . . . . 6.0 115.225 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -132.03 157.88 42.97 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.798 1.239 . . . . 6.0 113.42 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.84 -13.22 83.65 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.338 0.97 . . . . 6.0 114.323 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.62 158.63 43.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.321 1.849 . . . . 6.0 111.424 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.45 149.22 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 125.521 1.528 . . . . 6.0 110.087 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.77 156.59 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.382 1.473 . . . . 6.0 113.341 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.92 48.59 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.188 1.795 . . . . 6.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 24.3 m -91.99 153.69 19.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.108 1.763 . . . . 6.0 113.192 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 56.4 p -83.15 -10.7 58.5 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.547 1.139 . . . . 6.0 112.439 173.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.11 92.09 34.24 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.41 1.884 . . . . 6.0 109.547 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.89 -24.71 48.99 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 124.257 3.305 . . . . 6.0 115.915 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . 0.441 ' HB2' HD11 ' A' ' 359' ' ' LEU . 6.9 m80 -66.41 -10.02 39.64 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.139 1.376 . . . . 6.0 113.715 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 48.2 t -47.06 -47.27 22.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.76 2.024 . . . . 6.0 111.719 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.68 93.05 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.138 -0.976 . . . . 6.0 112.799 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.8 m -66.91 -39.31 87.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.358 1.063 . . . . 6.0 111.735 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 20.8 tpp -78.72 -37.67 40.9 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.522 0.934 . . . . 6.0 113.522 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -33.61 68.37 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.141 -1.599 . . . . 6.0 112.741 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -65.82 -34.49 78.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.486 0.714 . . . . 6.0 111.683 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.27 -42.41 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.038 0.935 . . . . 6.0 109.632 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.77 -44.74 86.39 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.275 0.489 . . . . 6.0 110.924 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -59.0 -35.03 72.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.649 0.779 . . . . 6.0 112.665 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.29 -50.01 30.34 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.691 0.678 . . . . 6.0 110.12 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.2 ttp -58.58 -29.76 66.66 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -176.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.548 HG22 HD12 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -62.78 -15.0 51.8 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.166 1.803 . . . . 6.0 112.916 178.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -111.88 7.77 20.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.195 2.198 . . . . 6.0 113.209 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.7 t -128.1 133.49 49.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.734 1.613 . . . . 6.0 112.64 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.52 10.58 0.97 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 115.358 1.614 . . . . 6.0 115.358 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -73.66 12.73 0.59 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.873 1.805 . . . . 6.0 115.873 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 62.4 -125.44 35.7 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 120.882 -1.136 . . . . 6.0 113.768 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.09 -10.07 59.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.534 1.134 . . . . 6.0 113.647 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.04 71.6 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.221 0.919 . . . . 6.0 112.906 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.4 t -68.51 121.84 17.22 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.088 -0.708 . . . . 6.0 109.088 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -79.84 2.42 23.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.888 0.875 . . . . 6.0 113.262 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.24 114.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.332 1.053 . . . . 6.0 108.16 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -43.57 -54.79 4.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.231 1.812 . . . . 6.0 114.369 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -79.77 -23.33 42.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.008 1.485 . . . . 6.0 115.008 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 50.5 t -67.21 -56.98 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.425 1.011 . . . . 6.0 109.783 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.68 95.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.102 0.961 . . . . 6.0 113.255 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 65.3 p -74.86 -35.81 62.32 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.726 1.148 . . . . 6.0 112.871 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.9 t -64.98 -49.9 68.45 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.891 1.223 . . . . 6.0 110.136 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -56.29 -34.87 66.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.463 1.105 . . . . 6.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.15 -36.13 83.28 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.137 0.975 . . . . 6.0 111.886 176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 42.8 mm -68.19 -52.57 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.418 1.008 . . . . 6.0 109.685 173.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.24 -41.34 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.042 0.937 . . . . 6.0 111.398 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.7 t -60.03 -40.76 90.45 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.61 -0.682 . . . . 6.0 111.958 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.43 -47.65 69.59 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.381 -0.825 . . . . 6.0 109.769 173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -56.66 -37.87 71.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.07 1.348 . . . . 6.0 113.953 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -74.02 -12.51 60.65 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.246 1.418 . . . . 6.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -123.26 -24.65 4.62 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 115.919 1.822 . . . . 6.0 115.919 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 35.0 t -71.38 126.2 29.01 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.722 1.146 . . . . 6.0 112.698 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 73.5 p -119.98 -5.63 10.05 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.469 1.908 . . . . 6.0 113.385 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -71.02 112.06 6.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.847 1.659 . . . . 6.0 110.104 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -27.59 68.21 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.145 1.165 . . . . 6.0 114.145 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -108.36 22.82 15.41 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.608 1.563 . . . . 6.0 115.126 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.5 t -61.87 130.28 92.37 Favored Pre-proline 0 CA--C 1.557 1.219 0 N-CA-C 107.674 -1.232 . . . . 6.0 107.674 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.59 -37.44 83.18 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.577 2.852 . . . . 6.0 117.157 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.13 -29.87 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.244 0.929 . . . . 6.0 112.527 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.0 m -78.38 -39.41 39.22 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.661 1.185 . . . . 6.0 112.703 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 52.0 tp -49.67 -48.31 76.93 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.229 1.811 . . . . 6.0 114.638 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -65.51 -40.82 17.02 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.115 1.876 . . . . 6.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.4 -42.46 96.08 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.032 0.933 . . . . 6.0 110.316 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.5 -45.89 84.4 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.204 1.402 . . . . 6.0 111.019 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.14 -34.58 71.16 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.808 0.843 . . . . 6.0 112.896 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -73.88 -34.2 64.35 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.363 -0.835 . . . . 6.0 112.201 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 12.2 t -74.33 -33.49 63.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.279 1.432 . . . . 6.0 112.367 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -150.94 123.54 8.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.484 1.114 . . . . 6.0 112.153 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -87.9 -9.76 52.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 6.0 114.173 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 6.0 112.493 -179.514 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 114.788 0.675 . . . . 6.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 32.5 m -76.97 -11.14 59.76 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.09 1.356 . . . . 6.0 114.285 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -146.39 150.9 36.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.864 1.666 . . . . 6.0 111.344 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -131.05 121.96 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.609 1.564 . . . . 6.0 109.715 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.22 -27.57 61.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.244 1.018 . . . . 6.0 113.388 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 8.6 t -149.37 166.59 28.58 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.898 1.679 . . . . 6.0 111.381 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 48.5 m -125.74 135.03 51.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.783 1.633 . . . . 6.0 110.432 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -71.53 -32.76 68.53 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.369 0.877 . . . . 6.0 113.369 -178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.9 152.78 23.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.533 1.133 . . . . 6.0 112.23 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -74.04 167.87 54.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.297 0.951 . . . . 6.0 114.214 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.53 -25.12 59.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.941 0.896 . . . . 6.0 113.128 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 65.67 -160.38 44.44 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.367 1.46 . . . . 6.0 114.782 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.3 t -156.04 164.0 38.99 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.54 1.536 . . . . 6.0 111.037 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.01 -36.5 77.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.19 1.396 . . . . 6.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 78.6 p -68.91 -25.89 64.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.741 -1.225 . . . . 6.0 112.301 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -75.86 -37.88 58.51 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.948 -1.095 . . . . 6.0 109.726 172.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -58.4 -27.0 63.88 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.726 0.81 . . . . 6.0 111.396 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 16.4 tp -82.22 -56.06 4.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.802 1.641 . . . . 6.0 111.369 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 76.2 mt -64.75 -22.93 67.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.402 1.63 . . . . 6.0 115.402 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.253 0.3 OUTLIER -89.5 14.18 12.05 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.707 1.744 . . . . 6.0 115.707 -178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.73 166.96 17.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.67 1.588 . . . . 6.0 113.805 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -112.5 140.85 46.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.36 1.864 . . . . 6.0 111.339 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -121.1 -179.64 4.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.338 1.855 . . . . 6.0 114.379 -174.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.49 -12.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 129.705 3.202 . . . . 6.0 119.41 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -69.4 -25.61 64.23 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.064 1.302 . . . . 6.0 112.465 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -89.17 -53.23 4.66 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.437 1.095 . . . . 6.0 112.513 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -150.31 151.62 33.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.807 2.443 . . . . 6.0 108.38 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -144.83 160.48 41.21 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 116.288 1.959 . . . . 6.0 116.288 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 1.36 56.48 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 117.684 2.476 . . . . 6.0 117.684 -174.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -47.73 -34.16 10.21 Favored Glycine 0 CA--C 1.538 1.474 0 N-CA-C 117.285 1.674 . . . . 6.0 117.285 -173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -84.68 -13.51 51.23 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.274 1.583 . . . . 6.0 115.274 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 395' ' ' THR 0.283 0.0 OUTLIER -72.41 -17.75 61.78 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.549 1.314 . . . . 6.0 114.549 -177.648 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.35 -13.5 62.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.024 0.829 . . . . 6.0 111.687 175.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 100.46 -165.33 19.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.546 1.546 . . . . 6.0 113.98 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -64.77 -29.99 70.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.23 1.012 . . . . 6.0 113.67 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 83.3 p -150.33 149.93 30.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.07 1.348 . . . . 6.0 111.987 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 38.8 m -116.62 136.37 53.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.552 1.541 . . . . 6.0 109.882 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -73.35 110.64 9.2 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.811 1.244 . . . . 6.0 113.646 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -59.36 -17.79 42.1 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.005 2.47 . . . . 6.0 114.206 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.07 -18.94 58.52 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 123.868 0.747 . . . . 6.0 112.809 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -23.88 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.946 1.299 . . . . 6.0 112.029 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.75 130.79 44.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.564 1.545 . . . . 6.0 112.42 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -159.77 171.04 20.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.871 1.668 . . . . 6.0 109.491 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -67.72 141.53 56.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.477 -0.765 . . . . 6.0 109.208 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 465' ' ' LEU . 12.5 mt -57.87 -33.2 68.44 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.012 -1.055 . . . . 6.0 112.235 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -65.62 -10.82 39.19 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.644 0.979 . . . . 6.0 113.644 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 9.03 16.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.531 2.333 . . . . 6.0 113.827 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 1.5 t -56.06 144.77 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.767 1.227 . . . . 6.0 112.423 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.81 69.86 5.59 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.621 1.168 . . . . 6.0 110.837 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -111.29 8.38 21.43 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.919 2.192 . . . . 6.0 116.919 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 9.4 m -57.73 -20.7 36.43 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.374 1.62 . . . . 6.0 115.374 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -90.07 -28.75 18.81 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.026 -1.046 . . . . 6.0 111.496 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -34.84 72.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.456 1.502 . . . . 6.0 109.635 174.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.64 -33.85 48.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 6.0 111.813 173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.53 -22.51 43.81 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.898 1.279 . . . . 6.0 113.424 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.11 16.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.091 1.357 . . . . 6.0 109.495 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 42.6 mt -75.45 -12.94 60.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.598 0.759 . . . . 6.0 112.841 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -59.52 -19.44 48.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.697 1.199 . . . . 6.0 111.907 173.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.84 -14.77 49.81 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.862 0.865 . . . . 6.0 113.21 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 84.29 146.7 7.74 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.072 1.796 . . . . 6.0 116.759 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.06 168.47 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 126.604 1.962 . . . . 6.0 111.521 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -122.34 155.66 35.52 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.273 1.212 . . . . 6.0 114.273 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 23.6 mmt -131.1 11.45 5.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.73 2.012 . . . . 6.0 112.104 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 15.7 t -65.24 140.31 58.71 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.057 0.943 . . . . 6.0 112.428 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.56 149.16 50.6 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.027 1.731 . . . . 6.0 111.206 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 31.8 p -81.84 156.48 24.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.0 1.32 . . . . 6.0 113.009 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 24.8 m -101.03 144.42 29.98 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.827 1.251 . . . . 6.0 110.618 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.76 -11.84 61.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.093 1.516 . . . . 6.0 115.093 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -146.08 159.59 45.68 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 126.183 1.793 . . . . 6.0 111.578 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 CA--C 1.539 0.748 0 C-N-CA 123.73 2.953 . . . . 6.0 113.876 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.838 1.051 . . . . 6.0 113.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 37.5 p -78.55 157.12 28.89 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.447 1.499 . . . . 6.0 113.032 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.55 48.42 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.835 1.207 . . . . 6.0 113.24 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.56 155.18 63.82 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.706 2.937 . . . . 6.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 37.0 p -79.25 -23.23 43.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.461 1.104 . . . . 6.0 113.828 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.79 164.59 35.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.852 1.661 . . . . 6.0 111.85 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.77 146.88 52.14 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 125.382 1.473 . . . . 6.0 110.634 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.63 -44.09 23.58 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.949 2.432 . . . . 6.0 113.89 -176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.72 -32.82 74.38 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.683 -1.261 . . . . 6.0 112.147 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -44.27 95.44 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.356 -0.979 . . . . 6.0 108.356 173.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -64.51 -39.07 93.1 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.205 . . . . 6.0 111.571 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -63.04 -47.27 83.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 116.437 -1.744 . . . . 6.0 113.079 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' B' ' 470' ' ' ASN . 40.3 tp -69.92 -39.84 75.91 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 122.093 2.224 . . . . 6.0 112.17 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.3 pt -63.48 -37.43 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 121.685 2.038 . . . . 6.0 111.47 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -73.68 -39.98 64.0 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.279 -0.888 . . . . 6.0 111.685 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -68.71 -41.18 79.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.813 1.245 . . . . 6.0 111.474 177.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -68.53 -40.87 80.57 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 108.957 -0.757 . . . . 6.0 108.957 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 432' ' ' LEU . 6.6 tt -60.69 -56.1 25.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.593 1.088 . . . . 6.0 111.48 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 4.6 p -59.59 -32.54 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.019 0.827 . . . . 6.0 112.258 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.77 -35.77 44.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.903 1.281 . . . . 6.0 112.555 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.34 -54.2 32.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.979 1.312 . . . . 6.0 108.363 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.41 -34.94 69.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.837 1.255 . . . . 6.0 111.028 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -63.15 -58.41 7.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.128 -0.694 . . . . 6.0 109.128 171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.04 -35.68 67.17 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.099 1.148 . . . . 6.0 114.099 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -66.3 -37.15 84.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.146 -0.971 . . . . 6.0 112.083 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -90.16 -27.13 19.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.864 1.061 . . . . 6.0 113.864 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 18.9 t -57.66 -47.16 83.05 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.275 1.83 . . . . 6.0 111.233 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.1 -17.27 63.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.582 0.956 . . . . 6.0 113.582 176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.11 -42.64 10.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.373 1.469 . . . . 6.0 113.155 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -58.56 -32.13 68.63 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.946 1.248 . . . . 6.0 113.908 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.02 -32.36 70.49 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.388 0.884 . . . . 6.0 113.388 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -90.09 -23.25 21.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.663 1.185 . . . . 6.0 112.581 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -79.16 -15.66 57.76 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.863 1.665 . . . . 6.0 114.727 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -134.24 161.41 35.0 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.864 1.266 . . . . 6.0 113.28 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -74.46 -19.16 79.93 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.186 0.898 . . . . 6.0 113.588 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.88 156.74 43.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.565 2.346 . . . . 6.0 109.514 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 9.6 p -141.94 156.03 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 121.499 -0.751 . . . . 6.0 112.312 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 169.51 10.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.475 1.51 . . . . 6.0 112.926 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.04 161.14 8.86 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.91 1.684 . . . . 6.0 114.049 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 3.0 t -82.29 145.04 30.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.158 1.383 . . . . 6.0 111.155 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 51.9 p -105.43 -23.53 12.81 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.963 1.838 . . . . 6.0 115.963 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 97.9 mt -131.49 91.21 35.19 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.909 1.283 . . . . 6.0 109.973 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -42.49 -26.57 0.62 Allowed 'Trans proline' 0 C--N 1.355 0.92 1 C-N-CA 126.01 4.473 . . . . 6.0 118.82 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -61.74 -13.63 24.99 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.852 1.261 . . . . 6.0 113.566 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 53.6 t -45.63 -43.86 12.72 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.357 2.263 . . . . 6.0 111.186 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.87 -41.64 91.99 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.2 1.185 . . . . 6.0 114.2 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 6.1 m -80.37 -41.09 25.33 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.267 1.027 . . . . 6.0 111.148 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -72.36 -35.77 68.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.531 0.733 . . . . 6.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -58.0 -30.8 66.37 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.106 -1.621 . . . . 6.0 112.613 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -67.96 -33.37 74.52 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.28 0.632 . . . . 6.0 111.264 175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 97.7 t -70.12 -41.74 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 6.0 109.16 173.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.1 mt -60.59 -42.24 96.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.903 0.481 . . . . 6.0 111.105 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -60.2 -36.53 77.87 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.588 0.755 . . . . 6.0 112.036 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -70.23 -47.74 60.05 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.598 0.635 . . . . 6.0 109.824 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 42.4 ttp -59.25 -30.84 68.56 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.336 1.454 . . . . 6.0 114.876 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.457 HG22 HD23 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -63.82 -19.61 65.15 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 121.25 1.841 . . . . 6.0 112.351 177.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -108.52 6.48 26.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.088 2.155 . . . . 6.0 113.438 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.8 t -130.1 125.7 35.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.34 1.456 . . . . 6.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.2 25.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.521 1.128 . . . . 6.0 113.673 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.53 23.39 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.879 1.672 . . . . 6.0 114.14 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 63.13 -117.83 12.32 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 120.937 -1.102 . . . . 6.0 112.959 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 461' ' ' VAL . 89.0 mttt -93.81 0.1 56.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.263 1.425 . . . . 6.0 114.016 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.69 74.1 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.997 0.74 . . . . 6.0 112.997 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.0 t -69.39 129.17 39.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.026 0.93 . . . . 6.0 110.251 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.58 6.43 43.74 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.722 1.209 . . . . 6.0 113.842 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.16 126.48 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.014 0.926 . . . . 6.0 109.04 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.9 -57.13 6.09 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.526 1.53 . . . . 6.0 114.729 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -77.03 -25.61 52.75 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.522 1.304 . . . . 6.0 114.522 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -50.63 71.32 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.598 1.559 . . . . 6.0 111.879 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.3 96.57 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 59.6 p -72.5 -44.0 62.84 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.427 1.012 . . . . 6.0 112.601 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 73.3 p -62.35 -33.81 75.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.715 0.688 . . . . 6.0 111.896 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -64.89 -40.62 95.38 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.067 -1.021 . . . . 6.0 111.653 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -45.79 86.65 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.621 0.769 . . . . 6.0 110.681 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 16.3 mm -56.85 -54.0 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.863 1.265 . . . . 6.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.46 -47.18 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.975 -0.536 . . . . 6.0 111.966 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.5 m -59.48 -37.04 77.19 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.73 1.15 . . . . 6.0 112.289 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -65.95 -48.14 72.3 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.743 0.701 . . . . 6.0 109.57 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -58.65 -36.94 74.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.198 1.185 . . . . 6.0 114.198 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.6 mtpm? -69.72 -11.29 60.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.9 1.28 . . . . 6.0 113.47 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -128.59 -25.31 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 116.297 1.962 . . . . 6.0 116.297 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.4 t -72.83 122.38 21.49 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 120.227 1.376 . . . . 6.0 112.785 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.9 p -120.09 0.88 10.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.526 1.931 . . . . 6.0 113.838 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -67.19 150.65 48.82 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.079 1.352 . . . . 6.0 113.543 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -97.13 3.87 51.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.021 1.329 . . . . 6.0 113.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -139.58 14.94 2.54 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.689 1.366 . . . . 6.0 114.689 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.48 124.51 88.42 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 121.138 -0.976 . . . . 6.0 108.743 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.72 -26.09 79.51 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.559 2.839 . . . . 6.0 116.752 -171.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.4 t -90.04 -40.3 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 119.291 0.95 . . . . 6.0 111.126 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 9.1 m -73.51 -43.5 59.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.943 1.697 . . . . 6.0 113.64 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.0 tp -50.16 -52.83 50.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.84 1.656 . . . . 6.0 115.236 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -66.89 -30.66 39.77 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 CA-C-N 122.272 1.847 . . . . 6.0 113.512 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 11.7 mt -78.02 -47.36 18.6 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.939 1.295 . . . . 6.0 113.035 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.84 -11.46 55.68 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.657 1.725 . . . . 6.0 115.657 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -100.75 2.92 41.77 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.357 1.463 . . . . 6.0 113.641 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.06 43.92 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 37.5 p -71.28 -12.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.069 1.348 . . . . 6.0 114.498 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -103.04 -46.81 4.54 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.094 1.357 . . . . 6.0 112.02 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -73.03 -29.36 62.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.984 1.105 . . . . 6.0 113.984 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 127.408 2.283 . . . . 6.0 114.171 174.593 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 N-CA-C 114.817 0.687 . . . . 6.0 114.817 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 25.6 m -72.05 141.91 49.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.374 1.47 . . . . 6.0 113.065 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -155.82 168.44 27.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.679 1.592 . . . . 6.0 111.406 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 77.8 mtm -70.11 139.18 52.47 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.363 0.665 . . . . 6.0 110.978 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -137.28 85.97 2.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.083 1.753 . . . . 6.0 110.746 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 37.8 m -73.89 158.09 35.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.798 1.239 . . . . 6.0 112.957 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.9 t -147.09 159.66 43.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.057 1.343 . . . . 6.0 111.046 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -75.93 164.4 26.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.389 1.076 . . . . 6.0 113.583 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.14 25.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.546 1.139 . . . . 6.0 113.568 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 54.68 -131.79 47.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.781 1.181 . . . . 6.0 113.743 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.76 -0.14 46.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.639 1.176 . . . . 6.0 113.526 176.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -78.82 -6.26 88.55 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.253 1.406 . . . . 6.0 114.763 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 18.5 p -46.39 -43.62 16.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.454 1.502 . . . . 6.0 113.164 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.34 -35.94 78.8 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.055 1.742 . . . . 6.0 114.176 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.3 p -69.35 -25.16 64.05 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.875 -1.766 . . . . 6.0 112.842 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -90.04 -23.61 21.41 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 6.0 111.778 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.84 43.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.843 1.257 . . . . 6.0 113.245 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.3 pp -91.07 -9.95 43.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.0 1.482 . . . . 6.0 115.0 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 84.0 mt -106.79 -23.31 12.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.166 1.387 . . . . 6.0 113.38 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 7.72 40.17 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.884 1.809 . . . . 6.0 115.884 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 pp -146.23 176.51 9.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.642 1.177 . . . . 6.0 114.127 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.77 76.77 1.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.54 1.936 . . . . 6.0 111.346 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 28.1 t80 -77.11 175.47 9.61 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 121.428 -0.795 . . . . 6.0 112.103 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -54.26 -15.4 1.55 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.047 2.139 . . . . 6.0 115.377 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -68.4 -18.93 64.57 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.678 0.791 . . . . 6.0 112.123 175.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.68 -59.6 2.31 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.744 1.218 . . . . 6.0 112.393 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -149.49 174.26 12.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.631 2.373 . . . . 6.0 109.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -140.44 159.1 42.94 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.6 2.074 . . . . 6.0 116.6 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.08 4.01 51.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.065 2.546 . . . . 6.0 117.64 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -44.83 -26.86 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 118.67 2.228 . . . . 6.0 118.67 -171.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -89.98 -12.12 39.63 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.672 1.73 . . . . 6.0 115.672 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.457 HD23 HG22 ' A' ' 395' ' ' THR 0.298 0.0 OUTLIER -72.32 -27.36 62.39 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.631 1.559 . . . . 6.0 114.855 -175.679 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.3 -24.38 67.27 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 119.15 0.886 . . . . 6.0 111.677 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 126.99 -167.95 19.29 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 126.426 1.965 . . . . 6.0 112.596 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -71.98 -18.51 61.98 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.184 0.809 . . . . 6.0 113.184 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 80.6 p -151.7 165.41 34.47 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.228 1.811 . . . . 6.0 111.736 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 21.8 p -128.65 156.02 44.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.076 1.75 . . . . 6.0 111.218 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -94.74 109.37 43.33 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.527 1.131 . . . . 6.0 112.448 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -58.09 -18.85 38.33 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.344 2.696 . . . . 6.0 114.704 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.07 -19.94 62.04 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-N 118.814 0.734 . . . . 6.0 112.979 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . 0.406 ' HA ' ' HE3' ' A' ' 401' ' ' LYS . 0.3 OUTLIER -82.6 -24.25 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.291 1.037 . . . . 6.0 112.158 175.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.21 123.83 21.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.316 1.447 . . . . 6.0 112.689 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 10.6 t -155.37 178.43 10.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.722 1.209 . . . . 6.0 110.912 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -64.62 122.2 16.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.724 1.21 . . . . 6.0 110.59 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.76 -34.56 69.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.323 0.649 . . . . 6.0 112.165 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -71.0 -0.17 8.8 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.176 1.176 . . . . 6.0 114.176 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 2.1 t -122.05 13.32 10.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.466 1.906 . . . . 6.0 113.21 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.51 144.9 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.466 1.507 . . . . 6.0 113.558 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -103.01 85.41 2.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.754 1.622 . . . . 6.0 109.619 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . 0.407 ' CG ' HD23 ' A' ' 352' ' ' LEU . 46.3 p30 -120.79 20.87 11.61 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.339 1.855 . . . . 6.0 113.951 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 20.1 m -52.79 -17.55 1.42 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.184 1.92 . . . . 6.0 116.184 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -90.02 -23.59 21.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.512 1.125 . . . . 6.0 112.893 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -43.36 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.018 -1.051 . . . . 6.0 110.093 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.15 -29.8 67.68 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.436 -0.79 . . . . 6.0 112.434 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -72.04 -27.73 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.275 0.943 . . . . 6.0 111.779 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.41 -47.94 18.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.076 1.35 . . . . 6.0 109.41 173.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.31 -29.32 64.89 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.747 1.388 . . . . 6.0 114.747 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.03 -24.06 65.96 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.2 -1.562 . . . . 6.0 112.882 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -85.47 40.74 0.85 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.616 1.566 . . . . 6.0 112.39 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.46 -131.87 2.48 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.305 1.431 . . . . 6.0 112.239 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 12.0 p -63.03 106.64 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 122.285 1.041 . . . . 6.0 113.106 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 95.7 p -165.61 176.36 8.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.85 2.06 . . . . 6.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -82.2 12.25 4.51 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.232 1.013 . . . . 6.0 113.494 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 8.6 t -65.6 150.39 48.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.564 1.145 . . . . 6.0 112.578 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -76.3 151.17 36.8 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.217 1.007 . . . . 6.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 67.7 p -73.81 162.63 28.92 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.817 1.247 . . . . 6.0 112.606 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -148.16 156.79 43.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.787 1.235 . . . . 6.0 111.796 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -150.12 159.37 44.47 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.703 1.601 . . . . 6.0 111.899 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -146.02 158.13 49.12 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.188 1.395 . . . . 6.0 112.038 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--N 1.353 0.765 0 C-N-CA 123.819 3.013 . . . . 6.0 113.038 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 113.775 1.028 . . . . 6.0 113.775 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 10.0 m -78.32 69.12 4.47 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.803 1.641 . . . . 6.0 111.026 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.48 54.85 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.24 0.924 . . . . 6.0 113.945 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 155.46 68.82 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.137 2.558 . . . . 6.0 111.628 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.9 p -67.93 -45.32 74.65 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.512 0.725 . . . . 6.0 112.375 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -159.26 97.06 1.34 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.573 1.549 . . . . 6.0 110.547 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -148.35 125.01 5.42 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 123.76 0.824 . . . . 6.0 112.438 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -82.59 -25.57 2.99 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.835 3.023 . . . . 6.0 114.128 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.18 -36.95 85.72 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.798 -1.189 . . . . 6.0 112.042 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -62.05 -42.86 99.62 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.242 0.617 . . . . 6.0 109.922 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -63.34 -35.38 80.2 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.168 0.987 . . . . 6.0 110.97 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.04 -46.55 70.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 116.742 -1.599 . . . . 6.0 111.378 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.39 -41.32 85.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 121.848 2.113 . . . . 6.0 112.291 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -30.31 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 121.264 1.847 . . . . 6.0 112.392 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.439 HE22 ' HG2' ' A' ' 431' ' ' PRO . 29.0 tt0 -83.7 -35.09 24.75 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.203 0.911 . . . . 6.0 112.16 174.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -68.21 -42.7 79.45 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.537 1.135 . . . . 6.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.87 -39.76 87.62 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.336 -0.84 . . . . 6.0 108.988 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.89 -56.72 18.28 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.245 . . . . 6.0 110.256 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 1.2 p -64.84 -32.54 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.7 0.682 . . . . 6.0 112.579 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.39 -32.26 54.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.423 1.089 . . . . 6.0 112.212 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.78 -53.49 26.69 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.75 1.22 . . . . 6.0 107.932 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 5.5 mt -55.58 -43.78 76.3 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.507 0.594 . . . . 6.0 109.425 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -56.11 -54.98 38.61 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.306 -0.854 . . . . 6.0 111.027 173.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.07 70.23 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.488 1.495 . . . . 6.0 113.712 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.09 -33.82 68.18 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.259 -0.9 . . . . 6.0 111.33 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -79.62 -37.62 35.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.487 1.515 . . . . 6.0 112.01 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.422 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 5.7 t -56.3 -45.66 80.12 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.773 2.429 . . . . 6.0 111.328 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.31 -18.46 57.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.861 1.06 . . . . 6.0 113.861 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -85.62 -42.84 13.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.278 1.031 . . . . 6.0 111.896 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.4 ptt180 -63.17 -30.75 71.84 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.532 1.06 . . . . 6.0 112.035 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.43 -41.44 98.68 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.803 1.641 . . . . 6.0 112.211 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -88.15 -18.89 27.78 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.095 0.958 . . . . 6.0 113.237 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.32 -15.2 51.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.608 1.563 . . . . 6.0 114.978 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -132.22 157.7 43.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.627 1.171 . . . . 6.0 113.482 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.19 -17.19 79.84 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.253 0.93 . . . . 6.0 113.767 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -137.25 151.54 48.82 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.462 2.305 . . . . 6.0 109.221 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.09 138.1 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 123.757 0.823 . . . . 6.0 111.974 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -86.02 171.83 11.11 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.798 1.639 . . . . 6.0 112.68 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.97 156.93 19.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.048 1.339 . . . . 6.0 112.996 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 2.7 t -79.06 175.63 10.41 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.458 1.103 . . . . 6.0 113.323 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 38.3 m -130.36 -36.5 1.47 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.912 1.449 . . . . 6.0 114.912 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 89.8 mt -134.46 89.12 27.7 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.661 1.184 . . . . 6.0 109.925 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -43.97 -24.21 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.906 1 C-N-CA 126.2 4.6 . . . . 6.0 118.732 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.9 -12.23 46.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.639 1.109 . . . . 6.0 112.853 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 1.7 p -58.01 -25.76 61.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.057 0.943 . . . . 6.0 112.602 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -62.56 -39.98 95.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.862 1.21 . . . . 6.0 112.479 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 22.4 m -81.97 -40.32 22.37 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.227 1.011 . . . . 6.0 110.674 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 18.1 tpp -70.25 -38.08 75.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.93 0.715 . . . . 6.0 112.93 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -58.18 -31.55 67.39 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 119.933 -1.729 . . . . 6.0 112.781 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -66.9 -33.0 74.64 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.218 0.607 . . . . 6.0 111.159 174.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.26 -41.72 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.865 0.866 . . . . 6.0 109.206 172.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.17 -41.22 92.4 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.843 0.747 . . . . 6.0 111.088 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -61.33 -28.15 69.01 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.137 0.975 . . . . 6.0 112.51 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -79.5 -50.56 10.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.461 0.704 . . . . 6.0 109.659 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 50.3 ttp -56.09 -25.17 44.44 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.485 1.914 . . . . 6.0 115.24 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -21.9 33.59 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.546 1.521 . . . . 6.0 112.726 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -98.34 -6.72 30.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.507 1.923 . . . . 6.0 114.641 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 99.1 m -114.64 122.41 46.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.092 1.357 . . . . 6.0 113.815 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -135.98 -1.29 2.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.553 1.541 . . . . 6.0 112.735 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.92 17.35 0.59 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.34 1.856 . . . . 6.0 114.771 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.19 -116.24 8.54 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.671 1.129 . . . . 6.0 115.151 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -72.17 -5.78 38.05 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.871 1.669 . . . . 6.0 114.548 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.78 85.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.008 0.822 . . . . 6.0 112.872 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.79 124.97 27.78 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.341 0.656 . . . . 6.0 109.248 176.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.54 5.29 36.26 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.54 1.136 . . . . 6.0 113.915 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.96 126.15 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.422 1.089 . . . . 6.0 110.231 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -46.78 -58.73 3.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.076 1.751 . . . . 6.0 114.082 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.1 -28.51 62.32 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.973 1.101 . . . . 6.0 113.973 -177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 31.7 t -65.97 -56.7 10.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.546 1.138 . . . . 6.0 110.402 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.84 91.17 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.593 0.96 . . . . 6.0 113.593 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 78.9 p -65.61 -40.85 93.09 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.428 1.013 . . . . 6.0 112.286 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.9 m -67.2 -41.36 85.96 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.099 0.863 . . . . 6.0 111.611 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -61.62 -32.41 72.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.744 0.818 . . . . 6.0 112.213 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -41.87 94.52 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.609 0.641 . . . . 6.0 110.075 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.37 -57.06 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.437 0.695 . . . . 6.0 110.831 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 37.9 mt -64.69 -43.01 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.682 0.793 . . . . 6.0 112.452 -174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 61.3 p -58.63 -40.43 83.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.4 1.0 . . . . 6.0 111.486 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.17 -48.45 67.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.003 0.521 . . . . 6.0 110.125 174.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -37.42 69.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.852 1.261 . . . . 6.0 114.024 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -74.43 -9.41 58.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.893 1.277 . . . . 6.0 113.824 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -126.92 -22.07 3.89 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.0 129.28 39.03 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 120.279 1.4 . . . . 6.0 112.503 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 70.3 p -119.99 -4.53 10.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.208 1.803 . . . . 6.0 114.413 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.77 31.66 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.223 1.409 . . . . 6.0 114.125 -176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -93.76 -11.58 31.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.222 1.409 . . . . 6.0 113.744 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -114.59 10.01 16.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.292 1.437 . . . . 6.0 114.274 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.36 125.24 90.0 Favored Pre-proline 0 CA--C 1.558 1.26 0 N-CA-C 108.573 -0.899 . . . . 6.0 108.573 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -61.39 -32.06 88.93 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.49 2.793 . . . . 6.0 117.386 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.01 -28.65 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.768 1.167 . . . . 6.0 111.618 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.18 -36.28 47.65 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.689 1.596 . . . . 6.0 112.27 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 mt -44.47 -55.33 10.34 Favored Pre-proline 0 N--CA 1.469 0.514 0 C-N-CA 126.46 1.904 . . . . 6.0 115.241 -176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . 0.439 ' HG2' HE22 ' A' ' 354' ' ' GLN . 42.9 Cg_exo -63.94 -37.34 44.45 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.627 1.552 . . . . 6.0 113.503 -177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.89 -41.67 86.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.537 1.062 . . . . 6.0 110.112 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.29 -38.19 79.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.773 1.229 . . . . 6.0 111.593 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -85.85 -12.18 51.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.848 1.259 . . . . 6.0 114.24 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -90.54 65.0 5.94 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.917 1.687 . . . . 6.0 108.022 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 36.7 m 0.61 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 1 C-N-CA 134.118 4.967 . . . . 6.0 116.98 -169.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.25 -34.16 63.78 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.581 1.552 . . . . 6.0 112.532 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -74.94 -9.19 58.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.373 1.249 . . . . 6.0 114.373 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 126.805 2.042 . . . . 6.0 110.513 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.365 0 N-CA-C 114.757 0.663 . . . . 6.0 114.757 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 84.8 p -60.79 -26.68 67.46 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.08 1.352 . . . . 6.0 114.214 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -81.22 -9.66 59.74 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.027 1.331 . . . . 6.0 113.651 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 95.9 mmm -66.78 -18.45 65.38 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.043 -1.035 . . . . 6.0 113.33 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -57.11 -23.14 44.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.386 1.474 . . . . 6.0 113.959 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 48.2 m -78.16 -12.77 60.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.981 1.312 . . . . 6.0 113.45 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 22.3 p -84.6 146.9 27.27 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.421 1.088 . . . . 6.0 110.824 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -141.28 160.93 39.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.185 . . . . 6.0 113.103 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.81 172.98 12.25 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.22 1.808 . . . . 6.0 111.931 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 105.61 -1.59 39.4 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.313 1.435 . . . . 6.0 113.661 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 151.82 39.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.533 2.333 . . . . 6.0 109.074 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.88 -27.08 0.77 Allowed Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.699 1.142 . . . . 6.0 115.248 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 14.7 p -61.33 -50.91 71.03 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.352 1.461 . . . . 6.0 112.178 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.81 -40.52 69.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.103 0.961 . . . . 6.0 112.036 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 57.1 p -66.13 -30.42 70.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.535 -1.353 . . . . 6.0 111.762 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.71 -43.12 66.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.439 -0.788 . . . . 6.0 110.253 172.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -46.96 70.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.048 0.939 . . . . 6.0 110.714 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.72 -17.39 62.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.394 2.278 . . . . 6.0 113.817 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 68.0 mt -109.99 -9.85 14.73 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.305 1.595 . . . . 6.0 115.305 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER -125.81 -3.04 7.17 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.156 2.28 . . . . 6.0 117.156 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 165.92 14.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.347 0.976 . . . . 6.0 111.127 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -95.61 135.11 37.7 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.143 0.977 . . . . 6.0 109.34 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.89 179.35 4.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.12 0.968 . . . . 6.0 113.42 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -45.25 -23.72 0.21 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 118.009 2.596 . . . . 6.0 118.009 -172.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.99 63.1 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.681 1.363 . . . . 6.0 114.681 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -80.62 -53.51 6.48 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.276 0.944 . . . . 6.0 112.308 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -154.25 164.65 38.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.618 2.767 . . . . 6.0 107.78 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.78 162.16 40.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.876 1.806 . . . . 6.0 115.876 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.01 9.55 27.56 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.955 2.502 . . . . 6.0 116.859 -177.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -55.45 -18.71 15.87 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 117.191 1.636 . . . . 6.0 117.191 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -83.21 -35.74 25.18 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.826 1.787 . . . . 6.0 115.826 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -26.13 55.24 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.703 1.371 . . . . 6.0 114.703 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -7.97 54.83 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.211 1.004 . . . . 6.0 112.997 -176.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 81.51 172.17 46.45 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.437 1.494 . . . . 6.0 114.427 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.41 -41.58 93.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.833 0.853 . . . . 6.0 112.663 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 14.6 m -138.67 152.07 47.74 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.173 1.389 . . . . 6.0 112.424 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 15.4 p -130.82 157.28 43.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.905 1.682 . . . . 6.0 111.62 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.73 112.18 3.5 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.436 1.494 . . . . 6.0 112.492 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.27 -18.43 24.12 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.599 2.866 . . . . 6.0 115.104 178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.24 -19.12 59.18 Favored Glycine 0 CA--C 1.542 1.77 0 CA-C-N 119.072 0.851 . . . . 6.0 112.537 172.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -12.43 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.814 1.646 . . . . 6.0 112.338 175.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.96 54.1 1.82 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.752 1.621 . . . . 6.0 112.12 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 9.7 t -87.22 176.8 7.39 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.427 1.491 . . . . 6.0 111.039 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -74.65 140.86 44.56 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.173 -0.954 . . . . 6.0 110.482 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.9 -31.38 64.83 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.368 -0.833 . . . . 6.0 112.89 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.58 65.45 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 120.983 -1.073 . . . . 6.0 112.907 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 23.2 m -96.4 2.56 52.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.183 1.793 . . . . 6.0 113.876 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 19.4 t -58.89 129.89 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.091 1.356 . . . . 6.0 112.686 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.69 70.01 8.77 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.348 1.059 . . . . 6.0 111.096 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -108.23 11.36 27.42 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.674 1.731 . . . . 6.0 115.674 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 78.2 p -58.17 -18.05 22.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.666 1.576 . . . . 6.0 114.887 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -82.55 -27.19 31.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.843 1.657 . . . . 6.0 111.983 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -47.89 73.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.136 1.374 . . . . 6.0 111.641 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.86 -19.69 12.71 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.032 1.123 . . . . 6.0 114.032 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -70.01 -37.83 75.78 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.478 0.711 . . . . 6.0 111.347 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.79 -24.0 38.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.734 0.697 . . . . 6.0 111.608 174.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.36 -4.5 53.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.768 0.827 . . . . 6.0 113.125 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -87.18 5.41 38.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.518 1.127 . . . . 6.0 112.287 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -133.66 68.53 1.49 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.971 1.708 . . . . 6.0 112.125 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 167.19 -124.49 1.22 Allowed Glycine 0 CA--C 1.536 1.348 0 O-C-N 121.289 -0.882 . . . . 6.0 113.278 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 2.3 p -55.41 124.36 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.979 0.912 . . . . 6.0 111.813 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 42.7 t -158.33 157.52 32.57 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.771 2.028 . . . . 6.0 110.93 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 45.7 ttm -94.77 -2.88 50.13 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.187 1.395 . . . . 6.0 112.947 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 67.8 m -75.47 65.99 1.8 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.921 1.288 . . . . 6.0 112.607 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -143.95 164.75 29.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.321 1.848 . . . . 6.0 112.01 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 26.9 t -76.08 155.81 34.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.67 0.788 . . . . 6.0 111.703 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 56.2 p -118.93 3.88 11.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.079 1.752 . . . . 6.0 113.248 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.73 155.7 40.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.471 1.108 . . . . 6.0 113.206 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.76 150.02 68.72 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.591 1.557 . . . . 6.0 111.356 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.351 0.688 0 C-N-CA 123.469 2.779 . . . . 6.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 113.751 1.019 . . . . 6.0 113.751 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 6.9 t -148.26 173.3 13.16 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.718 1.607 . . . . 6.0 111.924 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -67.52 162.27 47.67 Favored Glycine 0 CA--C 1.544 1.844 0 C-N-CA 124.721 1.153 . . . . 6.0 114.41 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.74 152.11 63.99 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.697 2.932 . . . . 6.0 112.935 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 6.7 t -68.95 -30.04 68.4 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.563 0.579 . . . . 6.0 112.563 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -114.07 129.15 56.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.655 1.582 . . . . 6.0 111.129 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -159.33 161.79 26.85 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 126.129 1.772 . . . . 6.0 110.377 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.93 -27.24 79.68 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.58 2.187 . . . . 6.0 114.655 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.26 -26.97 60.53 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.644 -1.285 . . . . 6.0 111.393 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -62.03 -50.01 73.74 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 107.808 -1.182 . . . . 6.0 107.808 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.99 -40.81 70.48 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.206 1.402 . . . . 6.0 111.586 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -60.07 -45.62 92.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.765 -1.112 . . . . 6.0 112.217 176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.298 1.408 . . . . 6.0 111.603 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 465' ' ' LEU . 4.7 pt -61.05 -32.92 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 120.944 1.702 . . . . 6.0 113.291 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.68 -43.84 29.93 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.685 -0.634 . . . . 6.0 110.988 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -65.11 -42.81 93.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.922 0.889 . . . . 6.0 111.998 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -63.18 -34.28 77.3 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.43 -0.795 . . . . 6.0 111.173 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -61.8 -55.6 28.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.839 1.2 . . . . 6.0 109.955 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 2.5 p -62.65 -35.21 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.592 1.087 . . . . 6.0 112.257 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.4 -38.77 74.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.671 0.788 . . . . 6.0 112.359 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.82 -53.74 36.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.549 1.14 . . . . 6.0 109.403 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.14 -40.59 77.48 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.978 0.911 . . . . 6.0 110.501 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -58.49 -56.29 24.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.791 0.723 . . . . 6.0 110.038 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.14 -35.2 66.86 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.993 0.815 . . . . 6.0 112.846 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -67.27 -45.13 77.54 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.399 -0.813 . . . . 6.0 111.956 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -69.07 -36.67 77.89 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.104 0.865 . . . . 6.0 111.522 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.28 -52.24 66.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.691 1.996 . . . . 6.0 110.168 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -58.37 -32.95 69.05 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.633 1.173 . . . . 6.0 112.08 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.56 -19.91 44.57 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.959 1.466 . . . . 6.0 114.959 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -89.86 -28.99 18.89 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.819 1.645 . . . . 6.0 114.068 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.47 -22.18 64.58 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.236 0.925 . . . . 6.0 112.855 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.81 -11.26 48.45 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.082 1.353 . . . . 6.0 111.975 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.28 -21.75 12.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.099 1.76 . . . . 6.0 114.419 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -129.29 149.43 51.09 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.76 1.624 . . . . 6.0 111.672 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -73.86 -22.39 78.16 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.236 0.446 . . . . 6.0 113.622 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -132.32 150.77 52.09 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.891 1.676 . . . . 6.0 112.545 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 2.7 p -156.43 135.28 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.006 1.723 . . . . 6.0 109.776 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.93 164.65 19.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.44 1.496 . . . . 6.0 113.828 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -62.29 139.72 58.51 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.968 1.307 . . . . 6.0 112.825 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 37.2 m -75.98 155.39 35.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 6.0 114.358 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 53.1 p -82.54 -15.67 51.49 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.414 1.486 . . . . 6.0 113.376 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 65.2 mt -117.93 97.41 50.74 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 126.521 1.929 . . . . 6.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.87 -23.68 21.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.552 3.501 . . . . 6.0 117.348 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -67.79 -9.92 48.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.525 1.53 . . . . 6.0 114.656 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 52.0 t -44.65 -52.07 8.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.338 1.855 . . . . 6.0 112.475 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -57.76 -39.21 76.87 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.094 1.146 . . . . 6.0 114.094 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.3 m -75.05 -42.43 57.09 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.08 0.952 . . . . 6.0 110.906 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -71.07 -33.95 70.73 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.715 0.806 . . . . 6.0 112.377 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.75 -33.11 68.14 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.378 -1.451 . . . . 6.0 112.482 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -69.88 -32.11 70.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.468 0.707 . . . . 6.0 111.392 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.34 -39.7 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.934 0.893 . . . . 6.0 109.511 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.33 -46.63 85.85 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.605 0.639 . . . . 6.0 110.87 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -57.29 -34.5 68.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.936 0.894 . . . . 6.0 112.437 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -73.81 -49.88 23.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.485 0.584 . . . . 6.0 110.264 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.427 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.5 ttp -61.6 -26.52 68.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.314 1.598 . . . . 6.0 115.314 -175.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.409 HG22 HD23 ' B' ' 452' ' ' LEU . 0.8 OUTLIER -63.17 -14.02 43.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.444 1.929 . . . . 6.0 112.969 177.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.4 -3.97 14.36 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.014 2.126 . . . . 6.0 113.293 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.7 125.94 54.68 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.856 1.662 . . . . 6.0 112.316 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -151.34 13.65 0.67 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.154 1.381 . . . . 6.0 113.854 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -85.87 6.24 29.17 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.203 1.557 . . . . 6.0 115.203 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 56.97 -112.5 3.59 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.539 1.066 . . . . 6.0 114.17 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 -20.16 62.88 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.922 1.689 . . . . 6.0 115.111 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.08 -31.99 69.84 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.185 0.809 . . . . 6.0 113.185 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.28 135.24 40.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.543 0.737 . . . . 6.0 111.064 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -101.09 5.28 42.82 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.175 1.39 . . . . 6.0 113.127 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.26 121.79 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.368 1.067 . . . . 6.0 109.619 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -48.1 -57.17 6.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.997 1.719 . . . . 6.0 114.362 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -72.74 -27.61 62.14 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.478 0.918 . . . . 6.0 113.478 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.38 -58.02 5.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.743 1.217 . . . . 6.0 110.843 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.87 94.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.527 0.936 . . . . 6.0 113.527 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 75.6 p -70.37 -46.84 63.28 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.938 0.79 . . . . 6.0 112.446 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 89.8 p -66.01 -33.09 75.01 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.773 1.17 . . . . 6.0 112.616 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -62.47 -35.68 80.08 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.102 -0.999 . . . . 6.0 111.571 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -44.36 97.49 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.428 0.691 . . . . 6.0 109.702 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' A' ' 357' ' ' LEU . 34.9 mm -57.87 -53.1 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.91 0.884 . . . . 6.0 110.798 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.457 HG23 HD11 ' B' ' 449' ' ' LEU . 73.9 mt -63.84 -44.06 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 122.777 0.431 . . . . 6.0 111.09 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.9 t -60.25 -42.23 94.88 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.478 0.581 . . . . 6.0 111.483 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -62.55 -49.81 73.8 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.818 0.847 . . . . 6.0 109.93 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.83 -37.21 70.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.892 1.277 . . . . 6.0 113.761 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -70.46 -15.44 62.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.192 1.397 . . . . 6.0 114.463 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -130.24 -22.79 2.77 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.684 2.105 . . . . 6.0 116.684 -174.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.2 149.15 50.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.024 1.49 . . . . 6.0 115.024 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 17.4 p -81.42 62.59 5.37 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.663 1.985 . . . . 6.0 108.521 172.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -14.68 0.1 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.706 2.403 . . . . 6.0 117.199 -175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.05 -16.45 62.6 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.179 1.392 . . . . 6.0 113.557 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -136.54 1.64 2.62 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.753 1.76 . . . . 6.0 115.753 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 21.3 t -76.74 128.22 82.27 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.451 1.023 . . . . 6.0 109.8 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.67 -23.16 75.95 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.94 2.426 . . . . 6.0 114.936 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 15.1 t -90.05 -39.77 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.61 0.764 . . . . 6.0 111.335 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 19.1 m -78.89 -36.81 41.49 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.047 1.339 . . . . 6.0 114.036 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.42 -45.9 99.87 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 114.919 1.452 . . . . 6.0 114.919 -175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -64.27 -35.49 51.07 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 CA-C-N 122.245 1.838 . . . . 6.0 112.269 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 357' ' ' LEU . 11.2 mt -67.76 -41.51 83.2 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.169 1.388 . . . . 6.0 111.082 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.62 -35.4 70.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.949 1.3 . . . . 6.0 110.926 174.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -77.69 -29.19 51.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.354 1.062 . . . . 6.0 113.0 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.9 64.05 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.87 1.063 . . . . 6.0 113.87 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.6 m -65.45 -32.14 73.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.598 1.159 . . . . 6.0 112.779 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -158.67 110.65 2.21 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.371 1.468 . . . . 6.0 110.665 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.7 -16.17 60.76 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.665 0.987 . . . . 6.0 113.665 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 126.19 1.796 . . . . 6.0 111.538 -179.311 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 114.041 0.376 . . . . 6.0 114.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 24.3 m -66.2 154.6 39.36 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.681 1.192 . . . . 6.0 112.766 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -71.2 14.26 0.17 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.799 1.778 . . . . 6.0 115.799 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 28.0 ptm -79.4 6.06 11.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.172 1.789 . . . . 6.0 114.625 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -71.22 -16.68 62.51 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.913 1.449 . . . . 6.0 114.913 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 47.0 m -63.61 139.28 58.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.492 1.117 . . . . 6.0 112.934 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 37.9 p -140.87 160.04 40.92 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.764 1.626 . . . . 6.0 111.926 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -76.37 153.87 35.41 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.052 0.941 . . . . 6.0 112.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -73.66 -20.17 60.64 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.677 1.362 . . . . 6.0 114.677 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 69.34 16.36 71.24 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.86 1.219 . . . . 6.0 115.422 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -80.75 113.83 19.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.551 1.176 . . . . 6.0 110.786 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -74.36 -16.93 79.7 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.743 1.163 . . . . 6.0 115.338 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 9.6 t -156.74 156.66 33.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.607 1.563 . . . . 6.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.09 -34.15 76.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.856 1.262 . . . . 6.0 112.008 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 86.6 p -64.74 -16.12 62.5 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.451 -0.78 . . . . 6.0 113.021 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.69 -30.34 68.98 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.93 -1.106 . . . . 6.0 111.156 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.96 -24.99 67.34 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.954 0.902 . . . . 6.0 112.004 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.03 -55.78 3.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.214 1.806 . . . . 6.0 111.529 175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.54 -15.78 62.3 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 116.222 1.934 . . . . 6.0 116.222 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.18 -9.8 59.09 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.952 1.464 . . . . 6.0 114.952 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 95.7 mt -139.24 157.17 46.39 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.784 2.034 . . . . 6.0 110.09 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -69.15 130.45 42.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.427 -0.796 . . . . 6.0 109.288 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.12 168.85 18.24 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 113.732 1.012 . . . . 6.0 113.732 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.76 67.29 0.38 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.132 2.573 . . . . 6.0 114.353 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -99.98 -8.02 24.41 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.617 1.71 . . . . 6.0 115.617 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.41 -40.01 70.75 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.402 1.26 . . . . 6.0 114.402 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -157.29 162.82 39.18 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.646 2.378 . . . . 6.0 107.869 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -138.67 165.11 27.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.818 1.414 . . . . 6.0 114.818 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . 0.457 HD11 HG23 ' A' ' 415' ' ' ILE . 1.0 OUTLIER -76.22 4.86 7.85 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 118.088 2.625 . . . . 6.0 118.088 -174.193 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.99 -31.02 5.45 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.656 1.422 . . . . 6.0 116.656 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -78.74 -16.4 57.26 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.925 1.454 . . . . 6.0 114.925 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 394' ' ' MET . 0.0 OUTLIER -76.83 -32.01 57.29 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.948 1.092 . . . . 6.0 113.948 -176.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mt -68.02 -16.87 64.23 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.165 0.893 . . . . 6.0 112.449 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 85.49 -173.08 47.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.142 1.354 . . . . 6.0 113.56 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -76.58 -16.09 59.68 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.231 1.196 . . . . 6.0 114.231 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 51.4 m -121.26 152.67 38.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.299 1.44 . . . . 6.0 113.097 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 51.9 p -143.04 179.15 7.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.996 2.118 . . . . 6.0 110.199 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -120.1 82.81 30.18 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.603 1.161 . . . . 6.0 111.761 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -53.09 -20.6 14.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.793 2.995 . . . . 6.0 115.087 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.53 -22.41 69.63 Favored Glycine 0 CA--C 1.54 1.634 0 O-C-N 121.302 -0.873 . . . . 6.0 113.15 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -9.31 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.543 1.537 . . . . 6.0 112.545 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.75 125.6 24.52 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.229 1.012 . . . . 6.0 110.506 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.3 t -155.3 172.28 18.45 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.921 0.867 . . . . 6.0 112.711 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.92 137.88 51.93 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.094 -1.076 . . . . 6.0 108.094 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' A' ' 353' ' ' ILE . 81.9 mt -58.17 -25.52 61.63 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.518 1.303 . . . . 6.0 114.518 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.93 -16.69 60.1 Favored 'General case' 0 CA--C 1.553 1.068 0 O-C-N 121.317 -0.864 . . . . 6.0 112.865 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 49.8 m -104.11 7.62 36.32 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.612 1.965 . . . . 6.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 6.0 t -63.37 148.89 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.784 1.233 . . . . 6.0 112.114 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -103.46 70.01 1.02 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.392 1.077 . . . . 6.0 110.002 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -104.91 9.08 34.79 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.416 1.487 . . . . 6.0 114.373 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 63.5 p -58.37 -25.36 61.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.389 0.995 . . . . 6.0 113.615 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.57 -31.98 22.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.584 1.154 . . . . 6.0 111.606 176.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.52 -34.16 73.85 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.734 -1.229 . . . . 6.0 109.21 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.82 -32.66 65.94 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.819 -1.176 . . . . 6.0 111.852 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -70.01 -33.39 71.96 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.634 1.106 . . . . 6.0 112.363 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.73 -47.91 61.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.751 1.22 . . . . 6.0 109.507 175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.48 -20.77 61.32 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.429 1.092 . . . . 6.0 113.729 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -66.01 -14.7 62.1 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.414 -1.429 . . . . 6.0 112.664 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -72.79 -0.63 13.86 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.311 1.445 . . . . 6.0 113.504 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . -171.3 -128.39 1.03 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.333 1.444 . . . . 6.0 112.053 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.67 102.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.13 1.372 . . . . 6.0 113.516 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 33.5 t -165.06 156.06 14.42 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.189 2.196 . . . . 6.0 109.734 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 41.7 ttm -148.19 39.25 0.91 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.365 1.466 . . . . 6.0 110.573 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 97.8 p -132.78 167.75 19.59 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.517 1.302 . . . . 6.0 114.517 -176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -138.8 170.92 15.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.723 2.009 . . . . 6.0 110.574 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 24.3 t -64.65 153.32 39.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.202 1.001 . . . . 6.0 112.905 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 40.8 p -74.4 -26.19 59.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.905 1.282 . . . . 6.0 111.814 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.99 161.58 26.55 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.077 1.351 . . . . 6.0 112.719 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.17 135.38 76.56 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.873 0.869 . . . . 6.0 111.515 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo . . . . . 0 C--N 1.353 0.78 0 C-N-CA 123.79 2.994 . . . . 6.0 114.118 179.728 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.843 0.683 . . . . 6.0 112.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 9.8 m -73.21 -30.15 63.3 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.598 1.159 . . . . 6.0 112.804 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -75.96 172.62 54.12 Favored Glycine 0 CA--C 1.544 1.85 0 C-N-CA 124.649 1.119 . . . . 6.0 114.616 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -69.86 164.25 35.35 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.021 3.147 . . . . 6.0 112.837 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -68.25 -21.9 64.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.587 1.155 . . . . 6.0 113.327 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -142.22 140.93 32.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.625 1.97 . . . . 6.0 109.845 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 132.51 91.06 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 121.484 -0.76 . . . . 6.0 111.572 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -64.26 -34.47 55.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.186 2.59 . . . . 6.0 114.31 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -74.46 -31.81 62.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.107 -0.996 . . . . 6.0 111.417 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.65 -44.74 89.46 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.768 -0.827 . . . . 6.0 108.768 172.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -60.49 -43.88 96.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.591 1.156 . . . . 6.0 110.344 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 351' ' ' LYS . 0.2 OUTLIER -58.01 -45.8 86.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 119.576 1.08 . . . . 6.0 111.565 173.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.4 -53.55 50.65 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.89 1.223 . . . . 6.0 111.673 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' B' ' 465' ' ' LEU . 1.4 pt -61.38 -31.49 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 121.434 1.924 . . . . 6.0 112.765 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.08 -40.15 68.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 6.0 111.144 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -32.57 63.78 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.431 1.093 . . . . 6.0 111.036 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.24 -51.51 69.05 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.075 -1.083 . . . . 6.0 108.075 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.3 tm? -55.1 -56.05 24.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.514 0.726 . . . . 6.0 110.786 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -34.4 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.6 tt -81.99 -36.08 28.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.737 0.815 . . . . 6.0 112.607 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.25 -55.65 23.15 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.652 1.181 . . . . 6.0 108.734 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.04 -36.49 77.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.741 0.816 . . . . 6.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -59.58 -56.12 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.833 0.742 . . . . 6.0 109.643 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.65 69.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.032 0.933 . . . . 6.0 113.189 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -63.88 -44.65 92.42 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.552 -0.718 . . . . 6.0 111.679 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -71.62 -40.58 69.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.076 0.95 . . . . 6.0 112.021 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.48 -55.34 26.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.455 2.302 . . . . 6.0 112.576 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -76.45 -10.93 59.76 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.149 1.166 . . . . 6.0 114.149 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -90.07 -39.99 12.56 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.031 1.333 . . . . 6.0 113.63 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.7 -15.93 63.27 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 116.396 1.998 . . . . 6.0 116.396 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.73 -18.22 63.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.518 1.127 . . . . 6.0 113.881 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.42 -16.12 40.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.769 0.828 . . . . 6.0 112.813 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -109.84 -10.56 14.75 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.083 1.753 . . . . 6.0 114.228 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -133.09 144.85 50.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.309 1.444 . . . . 6.0 111.474 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.06 -20.16 78.83 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.329 0.49 . . . . 6.0 113.84 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -142.31 163.41 32.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.859 2.064 . . . . 6.0 110.903 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.14 136.35 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.441 1.496 . . . . 6.0 109.217 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -79.26 162.86 25.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.417 1.087 . . . . 6.0 113.241 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -73.19 127.29 32.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.834 0.854 . . . . 6.0 111.564 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 16.2 m -55.84 144.51 27.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.855 2.062 . . . . 6.0 114.91 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.8 m -79.46 -14.51 58.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.831 0.852 . . . . 6.0 112.759 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 28.0 mt -124.6 123.55 25.72 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.288 1.835 . . . . 6.0 109.698 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.14 -21.74 17.62 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.609 2.873 . . . . 6.0 116.016 -175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -71.15 -9.93 58.89 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.648 1.351 . . . . 6.0 114.648 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.4 t -43.68 -52.54 6.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.311 2.244 . . . . 6.0 112.747 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -58.12 -39.96 80.03 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.21 1.189 . . . . 6.0 114.21 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 2.7 m -73.2 -40.79 64.47 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.723 0.809 . . . . 6.0 110.909 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 17.1 tpp -72.67 -36.24 67.89 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.901 0.704 . . . . 6.0 112.901 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -56.41 -32.9 65.29 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.51 -1.368 . . . . 6.0 113.028 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -67.24 -34.56 77.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.433 0.693 . . . . 6.0 111.313 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.39 -41.96 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.21 1.004 . . . . 6.0 109.471 174.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.42 -46.51 86.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.352 0.523 . . . . 6.0 110.978 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.13 -28.54 69.18 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.985 0.735 . . . . 6.0 112.985 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -74.66 -51.27 14.85 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.937 0.79 . . . . 6.0 109.337 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.432 ' HE1' HD11 ' B' ' 452' ' ' LEU . 14.9 tmm? -59.19 -32.76 70.22 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.237 1.569 . . . . 6.0 115.237 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 452' ' ' LEU . 0.4 OUTLIER -61.81 -18.11 58.71 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 121.096 1.771 . . . . 6.0 113.027 177.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -108.57 6.04 25.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.93 2.092 . . . . 6.0 113.373 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 35.2 t -120.22 126.92 51.82 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.209 1.804 . . . . 6.0 111.603 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.58 13.09 2.33 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.182 1.178 . . . . 6.0 114.182 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -77.33 -1.82 31.83 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.201 1.556 . . . . 6.0 115.201 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 59.34 -125.91 40.82 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 121.291 -0.881 . . . . 6.0 113.433 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.84 -16.69 30.62 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.088 1.514 . . . . 6.0 115.088 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -72.22 -26.9 62.21 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.918 0.781 . . . . 6.0 112.934 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.09 128.49 35.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.939 0.895 . . . . 6.0 110.097 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 5.6 50.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.69 1.196 . . . . 6.0 113.955 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.79 123.3 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.29 -0.882 . . . . 6.0 109.475 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -44.82 -56.38 4.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.245 1.818 . . . . 6.0 114.769 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -81.69 -20.95 38.42 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.13 1.53 . . . . 6.0 115.13 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.91 -56.27 12.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.856 1.207 . . . . 6.0 111.197 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.53 85.49 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.219 1.192 . . . . 6.0 114.219 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 50.1 p -74.52 -40.6 61.65 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.501 -0.749 . . . . 6.0 112.777 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.3 m -64.67 -39.6 93.95 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.25 0.932 . . . . 6.0 111.532 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -60.34 -34.37 73.74 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.07 0.948 . . . . 6.0 112.126 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.77 79.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.571 0.748 . . . . 6.0 110.529 177.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 48.6 mm -53.56 -51.81 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.647 1.179 . . . . 6.0 110.907 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.02 -41.7 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.176 0.99 . . . . 6.0 111.279 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 m -59.6 -42.27 92.22 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.517 -0.739 . . . . 6.0 111.15 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -62.34 -48.74 78.48 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.102 0.561 . . . . 6.0 109.736 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -56.15 -37.06 68.99 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.699 1.199 . . . . 6.0 113.905 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -73.51 -14.67 61.26 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.043 1.337 . . . . 6.0 114.379 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.96 -25.79 4.51 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.838 1.792 . . . . 6.0 115.838 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 22.7 t -71.6 128.05 34.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.723 1.147 . . . . 6.0 112.057 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 76.7 p -118.23 -1.34 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.338 1.855 . . . . 6.0 113.276 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.29 120.72 19.3 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.742 1.617 . . . . 6.0 111.437 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.194 1.183 . . . . 6.0 114.194 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -116.48 18.04 15.23 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.511 1.924 . . . . 6.0 114.183 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 15.4 t -64.28 132.15 95.25 Favored Pre-proline 0 CA--C 1.552 1.05 0 O-C-N 121.106 -0.996 . . . . 6.0 109.539 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -57.11 -32.67 94.01 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.301 2.668 . . . . 6.0 115.719 -173.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 25.5 t -90.12 -34.93 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 119.33 0.968 . . . . 6.0 111.923 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 16.9 m -74.84 -42.58 57.71 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.254 0.934 . . . . 6.0 113.381 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.29 -51.96 58.54 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.074 1.749 . . . . 6.0 115.326 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -63.65 -34.43 63.09 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 CA-C-N 121.916 1.72 . . . . 6.0 112.567 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.37 -44.33 65.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.84 0.745 . . . . 6.0 110.844 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -53.02 -34.85 58.27 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.55 1.94 . . . . 6.0 112.56 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.16 -27.11 68.85 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.791 1.034 . . . . 6.0 113.791 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -88.87 -4.14 58.55 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.298 0.954 . . . . 6.0 113.498 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 44.5 m -84.26 2.57 39.42 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.714 1.206 . . . . 6.0 112.376 174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -143.01 172.83 12.17 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.216 2.206 . . . . 6.0 111.287 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -4.02 6.68 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.089 2.255 . . . . 6.0 117.089 -177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 126.963 2.105 . . . . 6.0 110.303 178.113 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 CA-C-O 121.297 0.387 . . . . 6.0 114.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 21.3 m -65.25 144.59 57.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.475 1.11 . . . . 6.0 112.752 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -149.24 168.68 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.098 1.359 . . . . 6.0 112.208 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 63.4 ttp -70.1 140.39 52.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 6.0 110.854 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -82.14 -25.32 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.173 1.175 . . . . 6.0 114.173 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 18.4 m -71.8 159.85 33.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.578 1.551 . . . . 6.0 112.5 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 7.3 t -140.38 168.5 19.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.934 1.294 . . . . 6.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -137.75 154.44 49.61 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.432 1.893 . . . . 6.0 111.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -84.84 148.09 26.47 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.235 1.014 . . . . 6.0 112.37 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 166.04 177.52 38.21 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.472 1.034 . . . . 6.0 113.593 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -135.18 113.46 11.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.046 1.338 . . . . 6.0 111.216 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.64 163.49 51.42 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.547 1.07 . . . . 6.0 113.078 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 30.9 p -141.44 157.62 44.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 126.904 2.082 . . . . 6.0 112.485 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.41 -32.89 74.55 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.181 0.993 . . . . 6.0 109.835 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 36.8 p -64.44 -38.05 89.66 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.723 -1.236 . . . . 6.0 111.21 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -38.52 88.35 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.941 -1.099 . . . . 6.0 110.638 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.8 -26.11 67.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.045 0.938 . . . . 6.0 113.025 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . 0.25 0.2 OUTLIER -90.98 -46.27 8.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.653 1.181 . . . . 6.0 110.958 176.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.63 -30.23 71.24 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.73 1.381 . . . . 6.0 114.73 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 5.3 39.46 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 115.583 1.697 . . . . 6.0 115.583 -178.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.7 tp -119.62 145.35 46.52 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.559 1.543 . . . . 6.0 113.36 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -79.09 127.88 32.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.681 1.193 . . . . 6.0 110.512 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -97.7 -179.98 4.63 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.489 1.116 . . . . 6.0 113.099 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.3 55.06 0.15 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.667 2.387 . . . . 6.0 115.548 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -87.7 -36.32 17.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.686 1.195 . . . . 6.0 113.763 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.07 -28.97 20.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.723 1.379 . . . . 6.0 114.723 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -149.06 160.07 43.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.385 2.274 . . . . 6.0 108.916 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -147.15 161.59 40.57 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.806 1.039 . . . . 6.0 113.806 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.01 9.96 25.96 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.242 2.312 . . . . 6.0 117.242 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -46.64 -38.37 9.64 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.668 1.427 . . . . 6.0 116.668 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -90.06 -8.62 51.03 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 395' ' ' THR 0.255 0.0 OUTLIER -70.58 -27.31 64.01 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.411 1.084 . . . . 6.0 113.541 -176.737 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.07 -9.18 36.6 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.955 0.798 . . . . 6.0 112.634 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 107.68 -176.95 21.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 126.077 1.798 . . . . 6.0 113.017 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -73.69 -22.69 59.85 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.219 1.008 . . . . 6.0 112.732 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 50.5 m -135.11 160.7 37.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.937 1.695 . . . . 6.0 111.899 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 36.8 p -133.43 175.65 9.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.163 1.385 . . . . 6.0 111.833 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.3 86.56 17.89 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.415 1.486 . . . . 6.0 112.651 -176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.71 -19.21 13.9 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.879 3.053 . . . . 6.0 115.116 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.35 -18.52 65.43 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.102 -0.999 . . . . 6.0 112.891 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.61 4.35 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 126.195 1.798 . . . . 6.0 112.158 176.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.94 52.95 1.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.621 1.568 . . . . 6.0 111.247 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 7.4 t -80.28 172.13 14.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.93 1.692 . . . . 6.0 111.595 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.35 134.51 50.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.34 -0.85 . . . . 6.0 110.217 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 353' ' ' ILE . 8.7 mt -57.11 -32.18 66.05 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.471 0.915 . . . . 6.0 113.471 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.88 -11.7 61.12 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.915 -1.116 . . . . 6.0 113.2 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -106.85 9.17 30.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.583 1.953 . . . . 6.0 113.465 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.1 136.58 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.501 1.52 . . . . 6.0 112.37 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.53 69.94 6.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.108 0.963 . . . . 6.0 111.299 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -101.55 18.17 20.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.826 1.65 . . . . 6.0 114.277 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 30.1 m -47.77 -30.83 4.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.619 1.968 . . . . 6.0 115.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.95 -30.4 17.85 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.01 0.924 . . . . 6.0 112.444 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -28.47 64.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.427 1.091 . . . . 6.0 110.95 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -54.61 -44.44 73.11 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.409 0.683 . . . . 6.0 111.635 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -77.11 -27.58 54.08 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.43 0.9 . . . . 6.0 113.43 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.07 -48.53 70.67 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 108.566 -0.901 . . . . 6.0 108.566 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.58 -7.08 54.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.521 1.304 . . . . 6.0 114.521 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -77.99 -27.9 49.15 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.803 -1.185 . . . . 6.0 111.208 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.91 49.92 1.61 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.527 1.931 . . . . 6.0 113.278 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 166.59 -133.29 2.88 Favored Glycine 0 CA--C 1.535 1.344 0 O-C-N 121.264 -0.897 . . . . 6.0 113.702 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 10.7 p -57.16 141.03 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.576 1.15 . . . . 6.0 112.557 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 11.9 t -150.3 174.49 12.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.524 1.53 . . . . 6.0 111.076 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 6.9 tpt -50.25 -56.54 10.7 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.676 1.59 . . . . 6.0 111.746 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 49.3 m -91.89 119.38 31.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.886 0.874 . . . . 6.0 111.196 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -153.46 162.68 41.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.293 1.437 . . . . 6.0 111.374 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 41.8 m -73.49 139.38 45.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.837 0.855 . . . . 6.0 112.734 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 13.7 t -157.27 173.92 16.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.932 1.693 . . . . 6.0 110.536 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.97 10.02 35.17 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.328 1.603 . . . . 6.0 115.328 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -134.23 146.74 60.88 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 125.052 1.341 . . . . 6.0 112.925 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 C-N-CA 123.019 2.48 . . . . 6.0 112.733 -178.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 112.83 0.678 . . . . 6.0 112.83 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 33.4 p -78.95 158.8 27.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.98 1.312 . . . . 6.0 112.748 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -174.55 175.02 46.82 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.546 1.069 . . . . 6.0 113.592 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.81 160.71 47.17 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.029 3.153 . . . . 6.0 113.137 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 40.4 p -77.05 -17.77 58.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.944 1.298 . . . . 6.0 113.712 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -140.53 160.98 38.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.1 1.76 . . . . 6.0 111.89 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -137.17 132.62 18.11 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.364 1.465 . . . . 6.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.63 -34.32 42.06 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.609 2.873 . . . . 6.0 114.628 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -37.11 69.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.061 -1.024 . . . . 6.0 110.717 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -65.09 -43.73 91.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.879 -0.581 . . . . 6.0 109.835 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.443 HH12 ' HB2' ' B' ' 466' ' ' ALA . 0.0 OUTLIER -58.76 -45.87 88.77 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.45 1.1 . . . . 6.0 110.697 177.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -66.9 -39.47 87.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 117.502 -1.237 . . . . 6.0 112.175 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -44.89 69.19 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.023 1.738 . . . . 6.0 111.295 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.4 pt -64.36 -36.19 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.492 1.496 . . . . 6.0 112.096 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -76.35 -38.2 56.19 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.995 -1.066 . . . . 6.0 111.935 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -67.14 -43.25 82.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.84 0.856 . . . . 6.0 110.51 175.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.68 -38.29 86.49 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 118.756 0.707 . . . . 6.0 109.677 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 357' ' ' LEU . 2.7 tm? -57.7 -58.47 8.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.314 0.961 . . . . 6.0 110.613 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.2 -36.01 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.751 -0.593 . . . . 6.0 112.117 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.99 -34.0 66.16 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.394 0.678 . . . . 6.0 112.796 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 30.2 mt -67.73 -54.06 22.37 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.553 1.141 . . . . 6.0 109.039 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.74 -33.83 72.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.767 -0.635 . . . . 6.0 110.469 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -63.22 -55.32 25.94 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.205 0.911 . . . . 6.0 110.191 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.45 69.27 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.748 1.158 . . . . 6.0 113.181 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -64.07 -29.09 70.25 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.854 0.862 . . . . 6.0 112.822 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -86.74 -37.1 18.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.359 1.464 . . . . 6.0 110.295 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 4.1 t -62.36 -46.8 87.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.748 2.019 . . . . 6.0 111.733 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.79 -23.97 67.41 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.413 -0.804 . . . . 6.0 112.934 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -90.11 -43.0 10.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.026 1.73 . . . . 6.0 113.79 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -65.02 -31.03 72.06 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.517 0.932 . . . . 6.0 113.517 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.01 -29.38 68.37 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.145 0.795 . . . . 6.0 113.145 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -90.04 -23.49 21.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.945 0.898 . . . . 6.0 112.082 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -81.87 -18.43 43.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.16 1.384 . . . . 6.0 114.393 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -130.49 155.99 45.54 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.345 1.458 . . . . 6.0 112.21 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -72.56 -32.37 61.95 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 121.876 -0.515 . . . . 6.0 113.214 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -143.62 145.25 32.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.56 1.944 . . . . 6.0 110.328 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.64 150.33 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.046 1.738 . . . . 6.0 111.91 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -83.87 157.43 21.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.987 0.915 . . . . 6.0 112.615 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -72.33 124.14 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.645 0.778 . . . . 6.0 110.987 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 4.4 p -73.72 160.14 31.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.642 1.577 . . . . 6.0 113.814 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 9.0 m -87.28 1.53 52.93 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 115.393 1.627 . . . . 6.0 115.393 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.67 83.4 53.88 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.633 1.573 . . . . 6.0 110.536 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.53 -20.46 8.92 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.808 3.672 . . . . 6.0 117.569 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -70.48 -10.27 58.73 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.361 1.245 . . . . 6.0 114.361 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.85 -28.53 66.18 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.499 1.045 . . . . 6.0 112.843 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -62.35 -41.51 98.65 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 120.759 -1.213 . . . . 6.0 112.481 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 7.8 m -78.74 -39.53 35.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.261 1.024 . . . . 6.0 110.938 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 16.2 tpp -72.96 -36.13 67.07 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.254 0.835 . . . . 6.0 113.254 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -56.79 -31.39 64.61 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.209 -1.557 . . . . 6.0 112.669 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -67.21 -33.59 75.69 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.68 0.792 . . . . 6.0 111.498 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.33 -40.89 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.038 0.935 . . . . 6.0 109.493 172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.83 -42.36 93.38 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.166 0.439 . . . . 6.0 110.355 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -58.52 -35.97 73.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.078 0.951 . . . . 6.0 112.353 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -71.06 -48.69 51.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.659 0.663 . . . . 6.0 109.751 173.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.459 ' HE3' HD11 ' B' ' 452' ' ' LEU . 40.7 ttp -61.62 -28.31 69.28 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.652 1.353 . . . . 6.0 114.652 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.432 HG22 HD23 ' B' ' 452' ' ' LEU . 0.2 OUTLIER -61.12 -20.2 62.38 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 121.251 1.841 . . . . 6.0 112.008 176.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -109.83 3.03 20.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.123 2.169 . . . . 6.0 113.719 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.8 t -120.24 130.52 54.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.156 1.382 . . . . 6.0 113.09 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -146.33 21.6 1.36 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.523 1.529 . . . . 6.0 112.779 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -76.17 6.81 4.87 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 115.954 1.835 . . . . 6.0 115.954 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.43 -122.06 28.62 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 120.867 -1.145 . . . . 6.0 112.859 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -10.09 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.939 1.296 . . . . 6.0 113.593 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.71 -29.13 64.22 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.218 0.917 . . . . 6.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 12.1 t -69.55 121.23 16.66 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.8 -0.815 . . . . 6.0 108.8 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -81.77 4.08 23.37 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.555 0.946 . . . . 6.0 113.555 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.43 115.49 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.279 1.032 . . . . 6.0 108.98 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.5 69.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.816 1.247 . . . . 6.0 112.847 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -67.71 -38.3 83.44 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.636 0.774 . . . . 6.0 112.525 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.96 -57.22 9.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.593 1.157 . . . . 6.0 111.108 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.29 97.02 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.512 0.93 . . . . 6.0 113.512 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.8 p -64.13 -41.5 97.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.571 1.078 . . . . 6.0 111.947 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 33.5 m -65.36 -47.67 75.63 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.424 0.69 . . . . 6.0 111.251 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.74 -39.14 80.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 6.0 112.072 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -51.73 68.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.298 -0.63 . . . . 6.0 109.298 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -46.52 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.716 0.806 . . . . 6.0 112.512 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 45.9 mt -67.88 -41.25 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 119.416 1.007 . . . . 6.0 110.471 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -56.37 -44.38 80.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.536 0.734 . . . . 6.0 111.609 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.72 -46.0 80.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.125 0.57 . . . . 6.0 110.254 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -57.41 -37.82 73.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.614 1.166 . . . . 6.0 113.988 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -71.82 -8.16 52.63 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.346 1.458 . . . . 6.0 113.47 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -128.45 -28.17 2.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.065 1.876 . . . . 6.0 116.065 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 8.3 t -67.91 140.4 56.48 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.643 1.111 . . . . 6.0 113.051 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 66.9 p -113.69 159.58 19.55 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.519 1.928 . . . . 6.0 112.513 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.72 81.79 2.68 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.745 -1.222 . . . . 6.0 111.955 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -110.11 -70.18 0.82 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.137 0.975 . . . . 6.0 110.907 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -167.91 19.08 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.182 1.393 . . . . 6.0 114.157 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.28 119.58 40.27 Favored Pre-proline 0 CA--C 1.557 1.24 0 O-C-N 120.68 -1.262 . . . . 6.0 109.954 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -61.72 -29.21 83.14 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.234 2.622 . . . . 6.0 116.68 -170.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.03 -38.99 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.004 0.82 . . . . 6.0 111.796 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.26 -42.08 26.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.698 1.599 . . . . 6.0 114.402 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.35 -48.14 56.84 Favored Pre-proline 0 CA--C 1.542 0.653 0 N-CA-C 115.118 1.525 . . . . 6.0 115.118 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -68.03 -40.01 9.82 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 CA-C-N 121.983 1.744 . . . . 6.0 112.566 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.492 HD12 ' CZ ' ' B' ' 443' ' ' PHE . 2.6 mm? -69.91 -41.92 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.989 0.915 . . . . 6.0 113.415 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . 0.272 9.7 ptmt -68.2 -9.93 50.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.822 1.045 . . . . 6.0 113.822 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -96.56 -41.89 8.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.812 1.645 . . . . 6.0 110.497 170.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -63.67 -22.13 66.74 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.497 1.119 . . . . 6.0 113.861 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 94.9 p -62.37 -25.32 67.86 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.855 1.262 . . . . 6.0 113.655 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.5 121.59 24.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.056 0.942 . . . . 6.0 111.377 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -76.07 -17.47 59.62 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.478 1.111 . . . . 6.0 113.46 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 125.212 1.405 . . . . 6.0 111.878 178.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.39 0 N-CA-C 114.701 0.641 . . . . 6.0 114.701 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 69.1 p -61.05 -20.22 62.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.252 1.421 . . . . 6.0 114.041 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -71.56 -15.64 62.28 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.713 1.605 . . . . 6.0 113.313 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 72.7 mtm -81.07 61.62 4.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.949 1.3 . . . . 6.0 111.041 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -3.86 21.13 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.669 1.729 . . . . 6.0 115.669 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 82.3 p -151.81 163.23 39.63 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.057 1.743 . . . . 6.0 111.473 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 10.4 t -156.64 165.4 36.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.963 1.305 . . . . 6.0 110.971 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.48 179.13 7.3 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.956 1.303 . . . . 6.0 112.516 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.45 -16.02 59.39 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.056 1.873 . . . . 6.0 116.056 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.53 141.23 5.39 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.022 1.296 . . . . 6.0 112.727 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.24 169.23 22.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.927 1.691 . . . . 6.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -72.35 60.57 1.51 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.787 1.66 . . . . 6.0 114.545 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 45.7 p -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.116 0.967 . . . . 6.0 113.031 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.46 -47.59 15.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.134 0.973 . . . . 6.0 110.304 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.9 p -63.25 -9.91 13.47 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.729 1.752 . . . . 6.0 115.729 -174.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.59 -26.04 35.25 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.333 -0.854 . . . . 6.0 110.888 171.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -48.27 -38.08 17.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.409 1.884 . . . . 6.0 113.716 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.88 -9.94 44.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.228 2.211 . . . . 6.0 115.247 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.03 -21.12 12.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.123 1.369 . . . . 6.0 113.858 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.34 8.77 35.97 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.1 1.518 . . . . 6.0 115.1 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 60.5 mt -140.61 152.52 45.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.141 2.177 . . . . 6.0 109.563 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.32 110.49 5.98 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.074 0.55 . . . . 6.0 109.889 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 432' ' ' LEU . 7.6 t80 -77.93 177.19 8.44 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.362 0.875 . . . . 6.0 113.362 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -53.07 10.4 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 121.002 3.704 . . . . 6.0 121.002 -172.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -100.06 -20.0 16.25 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.987 1.267 . . . . 6.0 113.42 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.69 -38.32 62.42 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.501 -0.749 . . . . 6.0 112.267 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -161.73 161.41 29.3 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 129.209 3.004 . . . . 6.0 106.725 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -147.29 154.46 40.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.713 1.375 . . . . 6.0 114.713 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.28 9.71 2.43 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 118.03 2.604 . . . . 6.0 118.03 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -54.76 -26.92 41.62 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 121.044 -1.035 . . . . 6.0 114.171 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.29 59.15 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.218 -1.166 . . . . 6.0 113.477 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.543 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -86.05 -46.04 10.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.815 1.646 . . . . 6.0 110.703 178.089 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . 0.543 ' N ' HD13 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.9 -10.46 42.45 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.936 1.087 . . . . 6.0 113.936 -175.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 82.44 -175.29 53.55 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.114 1.34 . . . . 6.0 113.998 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.47 -44.8 70.46 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.749 -0.853 . . . . 6.0 113.093 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 73.5 m -141.81 135.37 29.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.38 1.472 . . . . 6.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.89 162.01 16.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.111 1.364 . . . . 6.0 111.797 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.25 112.27 4.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.184 1.394 . . . . 6.0 111.479 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -56.23 -19.78 29.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.345 2.697 . . . . 6.0 114.993 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.75 61.24 Favored Glycine 0 CA--C 1.542 1.721 0 CA-C-N 118.964 0.802 . . . . 6.0 112.673 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 -9.72 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.461 1.504 . . . . 6.0 112.451 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -77.05 118.11 19.29 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.301 -0.874 . . . . 6.0 111.669 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 13.6 t -155.94 179.13 9.5 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.344 1.858 . . . . 6.0 109.728 178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.13 142.23 43.63 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.99 0.916 . . . . 6.0 111.01 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -27.89 61.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.448 1.099 . . . . 6.0 112.596 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . 0.443 ' HB2' HH12 ' A' ' 350' ' ' ARG . . . -67.68 -14.15 62.7 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.643 1.177 . . . . 6.0 113.969 175.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 45.6 m -107.28 7.92 29.56 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.266 1.826 . . . . 6.0 113.997 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.81 123.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.262 1.425 . . . . 6.0 111.933 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -82.82 69.93 9.71 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.338 1.055 . . . . 6.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.31 12.43 29.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.135 1.902 . . . . 6.0 116.135 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 51.5 p -59.47 -15.46 17.7 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.071 1.878 . . . . 6.0 116.071 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.87 -22.8 21.86 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.037 -1.04 . . . . 6.0 112.158 174.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.4 -43.09 97.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.117 1.367 . . . . 6.0 111.693 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -56.73 -20.18 20.63 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.137 1.162 . . . . 6.0 114.137 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.21 -35.61 78.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.254 0.934 . . . . 6.0 111.959 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.41 -25.63 28.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.618 0.644 . . . . 6.0 112.064 175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 9.1 mt -81.64 -12.29 58.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.633 0.773 . . . . 6.0 112.95 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -57.66 -19.38 26.2 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.056 1.342 . . . . 6.0 112.861 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.96 -17.25 64.23 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.171 1.789 . . . . 6.0 113.134 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.76 150.21 8.89 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.86 1.695 . . . . 6.0 116.261 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 22.7 m -96.21 154.66 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.435 1.894 . . . . 6.0 111.988 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 47.4 m -91.94 79.71 5.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.92 0.888 . . . . 6.0 112.257 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -114.79 129.4 56.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.53 1.532 . . . . 6.0 109.564 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 28.2 t -70.78 109.71 5.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.924 0.89 . . . . 6.0 112.586 -177.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -77.62 148.39 35.12 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.198 0.999 . . . . 6.0 111.614 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 97.6 p -156.41 -179.23 7.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.559 1.544 . . . . 6.0 111.781 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 6.2 t -127.95 146.53 50.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.095 1.358 . . . . 6.0 111.599 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -142.77 163.03 33.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.576 1.55 . . . . 6.0 112.683 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.79 156.0 78.92 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.708 1.603 . . . . 6.0 111.479 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.902 3.068 . . . . 6.0 114.024 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.968 0 N-CA-C 113.862 1.06 . . . . 6.0 113.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 38.5 p -82.22 158.67 23.46 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.586 1.555 . . . . 6.0 112.866 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . 74.72 -169.78 54.23 Favored Glycine 0 CA--C 1.543 1.829 0 C-N-CA 124.197 0.903 . . . . 6.0 114.354 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.88 164.74 34.71 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.779 2.986 . . . . 6.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 29.6 p -67.6 -25.33 65.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.238 1.015 . . . . 6.0 113.147 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -150.17 153.72 36.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.104 1.762 . . . . 6.0 111.244 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.12 154.85 88.49 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 122.966 0.506 . . . . 6.0 110.946 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -60.92 -31.66 91.75 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.544 2.163 . . . . 6.0 114.31 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.61 -28.7 61.01 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.847 -1.158 . . . . 6.0 111.818 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -64.12 -47.46 79.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.749 -1.204 . . . . 6.0 107.749 171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -59.39 -40.17 85.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.03 1.332 . . . . 6.0 111.34 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -60.91 -50.21 74.33 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.069 0.85 . . . . 6.0 110.538 172.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.44 -50.65 71.92 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 117.685 -1.15 . . . . 6.0 111.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.92 -36.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 121.033 1.742 . . . . 6.0 112.671 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -70.49 -46.45 63.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.962 1.255 . . . . 6.0 111.179 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -66.99 -42.91 84.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.046 0.938 . . . . 6.0 111.895 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -23.52 60.05 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 119.093 0.861 . . . . 6.0 111.819 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.7 -55.5 8.53 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.141 0.976 . . . . 6.0 108.6 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.4 -34.62 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 119.389 -0.338 . . . . 6.0 111.186 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.5 -35.23 68.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.528 -0.749 . . . . 6.0 112.937 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.68 -52.87 54.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.518 1.053 . . . . 6.0 108.527 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.57 -44.13 80.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.724 0.81 . . . . 6.0 110.161 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -59.62 -53.75 54.42 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.999 -1.0 . . . . 6.0 111.369 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.72 66.87 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.411 1.459 . . . . 6.0 112.584 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . 0.518 ' CE1' HD22 ' A' ' 391' ' ' LEU . 64.2 m80 -67.19 -40.03 86.47 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.575 -0.703 . . . . 6.0 112.007 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -38.3 73.58 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.778 0.831 . . . . 6.0 110.519 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.23 -41.6 98.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.809 2.044 . . . . 6.0 110.584 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.09 -39.16 88.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.14 1.376 . . . . 6.0 112.54 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -90.2 -34.7 15.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.571 1.693 . . . . 6.0 115.571 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -61.93 -29.6 70.34 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.329 1.422 . . . . 6.0 113.508 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.35 -30.92 69.04 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.423 0.897 . . . . 6.0 113.423 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.04 -20.66 22.96 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.899 0.88 . . . . 6.0 112.048 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -84.82 -15.28 45.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.554 1.542 . . . . 6.0 115.0 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.32 157.18 42.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.863 1.265 . . . . 6.0 113.26 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -77.53 -16.22 80.53 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.381 0.991 . . . . 6.0 114.149 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -137.55 156.22 48.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.829 2.051 . . . . 6.0 110.623 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 10.3 t -132.33 149.42 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.167 1.387 . . . . 6.0 110.152 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.51 165.13 24.26 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.614 1.566 . . . . 6.0 112.248 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -65.04 161.15 19.37 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.05 1.34 . . . . 6.0 113.778 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 5.8 p -130.02 147.63 51.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.787 2.035 . . . . 6.0 111.761 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 50.1 m -79.54 0.05 31.43 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.133 1.901 . . . . 6.0 116.133 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 7.5 mp -116.92 85.93 18.61 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 126.439 1.896 . . . . 6.0 109.09 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.2 -24.77 43.07 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 124.257 3.305 . . . . 6.0 117.414 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -69.65 -9.92 56.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 2.3 p -55.04 -33.38 62.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.256 0.935 . . . . 6.0 112.604 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.95 -39.54 85.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.583 1.153 . . . . 6.0 113.142 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 11.8 m -74.35 -40.53 62.1 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.612 1.165 . . . . 6.0 110.3 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.8 tpp -71.33 -33.16 69.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.504 0.557 . . . . 6.0 112.504 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -54.01 -36.03 62.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.297 1.439 . . . . 6.0 112.399 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -70.18 -33.09 71.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.341 1.056 . . . . 6.0 111.725 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.64 -41.11 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.078 0.951 . . . . 6.0 109.107 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 364' ' ' HIS . 7.8 mt -59.93 -45.19 93.42 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.378 0.671 . . . . 6.0 111.317 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.53 -34.61 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.742 0.817 . . . . 6.0 112.281 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -76.01 -50.33 15.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.263 0.625 . . . . 6.0 110.52 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 51.1 ttp -57.54 -26.13 60.94 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.813 1.412 . . . . 6.0 114.813 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.45 HG22 HD13 ' B' ' 452' ' ' LEU . 1.1 p -61.93 -15.41 43.02 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 120.744 1.611 . . . . 6.0 113.179 177.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -111.27 4.97 19.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.049 2.14 . . . . 6.0 113.197 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.67 125.62 42.17 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.018 1.327 . . . . 6.0 114.142 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.78 54.51 0.72 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.27 1.828 . . . . 6.0 109.954 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -116.72 11.79 14.7 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.797 1.639 . . . . 6.0 115.08 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.58 -126.93 42.39 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.838 -1.164 . . . . 6.0 113.946 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -72.37 -8.61 55.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.029 1.332 . . . . 6.0 114.574 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.92 -33.3 74.44 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.17 0.895 . . . . 6.0 112.526 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.51 128.03 34.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.606 0.762 . . . . 6.0 110.286 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -87.81 1.06 54.89 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.502 1.121 . . . . 6.0 113.537 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 125.69 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.584 1.154 . . . . 6.0 109.534 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -47.39 -56.58 6.62 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.384 1.473 . . . . 6.0 114.486 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -82.27 -18.79 41.16 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.634 1.716 . . . . 6.0 115.634 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.22 -55.19 17.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.214 0.915 . . . . 6.0 111.129 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.76 84.6 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.227 0.825 . . . . 6.0 113.227 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 27.9 p -71.46 -40.73 70.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.566 1.075 . . . . 6.0 112.834 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 66.1 m -59.66 -47.03 87.23 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.658 1.117 . . . . 6.0 109.801 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -60.35 -36.38 77.85 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.365 1.066 . . . . 6.0 111.984 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -62.32 -40.14 95.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.801 0.84 . . . . 6.0 111.449 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.22 -54.95 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.423 0.556 . . . . 6.0 109.557 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 44.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.154 0.982 . . . . 6.0 112.125 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 33.3 t -59.21 -38.55 80.19 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.52 -0.738 . . . . 6.0 111.316 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.82 -48.23 59.8 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.707 -0.621 . . . . 6.0 109.615 172.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -54.38 -40.57 68.3 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.447 1.499 . . . . 6.0 114.306 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -70.99 -12.08 61.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.256 1.422 . . . . 6.0 113.988 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -125.27 -15.97 6.08 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.479 1.659 . . . . 6.0 115.479 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.72 109.79 10.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.668 1.187 . . . . 6.0 111.7 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 74.8 p -120.0 -3.73 10.14 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.234 1.813 . . . . 6.0 115.346 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.629 ' HD2' ' H ' ' A' ' 425' ' ' ASP 0.253 0.0 OUTLIER -74.08 179.35 4.46 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.633 1.573 . . . . 6.0 114.285 -177.733 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -110.23 3.3 19.89 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.402 2.001 . . . . 6.0 116.402 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . 0.629 ' H ' ' HD2' ' A' ' 423' ' ' ARG . 5.5 p-10 -130.52 7.88 4.93 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 120.384 3.476 . . . . 6.0 120.384 -171.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.87 128.4 93.63 Favored Pre-proline 0 CA--C 1.551 1.006 0 CA-C-N 122.546 2.43 . . . . 6.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -63.37 -35.27 62.65 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.723 2.282 . . . . 6.0 114.977 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.23 -34.27 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.51 0.724 . . . . 6.0 112.4 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 18.7 m -76.0 -43.22 45.34 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.613 1.165 . . . . 6.0 113.433 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.0 tp -53.43 -45.12 98.66 Favored Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 115.752 1.76 . . . . 6.0 115.752 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.81 -37.44 67.06 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 CA-C-N 122.006 1.752 . . . . 6.0 112.114 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.28 -36.1 63.78 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.391 0.676 . . . . 6.0 111.801 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -55.88 -37.54 68.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.848 1.259 . . . . 6.0 111.105 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -71.44 -44.95 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.25 1.02 . . . . 6.0 111.846 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.01 63.09 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.07 1.137 . . . . 6.0 114.07 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 48.7 m -77.78 -7.31 56.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.182 1.393 . . . . 6.0 113.68 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.44 143.64 53.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.131 0.972 . . . . 6.0 112.148 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -68.9 -14.91 63.32 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.304 1.964 . . . . 6.0 116.304 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.864 1.266 . . . . 6.0 111.867 -179.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.552 0 N-CA-C 114.749 0.66 . . . . 6.0 114.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 6.7 t -65.58 151.64 45.97 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.908 1.283 . . . . 6.0 113.193 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -88.07 139.66 30.28 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.277 1.431 . . . . 6.0 112.44 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 64.3 mtt -123.35 -65.45 1.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.027 1.331 . . . . 6.0 109.377 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -120.91 -21.43 6.56 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.468 1.907 . . . . 6.0 111.592 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 76.3 p -153.69 166.67 32.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 129.189 2.996 . . . . 6.0 108.899 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 26.4 m -99.7 135.14 41.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.176 0.99 . . . . 6.0 110.333 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.32 142.97 32.56 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.421 1.088 . . . . 6.0 112.707 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -153.25 169.09 23.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.622 1.569 . . . . 6.0 111.617 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.43 -179.51 40.31 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.283 0.944 . . . . 6.0 113.871 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.6 -15.28 62.25 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.949 1.092 . . . . 6.0 113.949 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.0 21.7 0.05 OUTLIER Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.459 1.028 . . . . 6.0 114.992 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 13.8 p -64.68 -17.69 64.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.297 1.439 . . . . 6.0 113.523 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.29 -16.45 53.99 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.58 1.552 . . . . 6.0 114.024 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 95.2 p -53.07 -16.26 1.07 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.059 1.874 . . . . 6.0 116.059 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.87 -27.44 66.69 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.947 0.794 . . . . 6.0 110.484 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -47.87 -34.25 8.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.784 2.034 . . . . 6.0 113.044 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.11 -28.35 39.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.794 2.038 . . . . 6.0 114.1 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.67 -10.43 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.051 1.5 . . . . 6.0 115.051 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . 0.278 0.3 OUTLIER -102.45 8.24 40.12 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 117.135 2.272 . . . . 6.0 117.135 -176.244 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 48.6 mt -137.96 156.14 48.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.52 1.528 . . . . 6.0 111.544 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -74.53 130.89 40.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.704 0.801 . . . . 6.0 111.205 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -90.63 175.22 7.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.961 1.304 . . . . 6.0 113.37 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 36.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.586 2.355 . . . . 6.0 115.732 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.83 -33.66 11.57 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.873 1.669 . . . . 6.0 112.12 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.69 -36.35 37.7 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.642 1.177 . . . . 6.0 112.838 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -155.76 155.74 33.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.083 2.553 . . . . 6.0 107.48 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -145.81 153.07 40.49 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.125 1.157 . . . . 6.0 114.125 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.7 -3.65 32.72 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 118.554 2.798 . . . . 6.0 118.554 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -57.91 -26.97 58.86 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 119.884 1.22 . . . . 6.0 114.907 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.71 82.78 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.392 1.256 . . . . 6.0 114.392 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 395' ' ' THR . 0.9 OUTLIER -86.65 -27.01 24.06 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.095 0.776 . . . . 6.0 113.095 178.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.9 -26.91 40.04 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.192 0.597 . . . . 6.0 111.431 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.47 11.27 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.346 1.451 . . . . 6.0 114.838 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.39 -25.17 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.14 0.976 . . . . 6.0 113.441 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 48.9 m -80.27 61.39 4.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.277 1.431 . . . . 6.0 112.202 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 14.7 p -70.81 166.34 21.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.762 1.225 . . . . 6.0 113.879 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -105.29 108.24 60.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 116.755 2.132 . . . . 6.0 116.755 -170.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.63 -19.68 54.11 Favored 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 123.019 2.479 . . . . 6.0 113.18 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.47 -33.39 86.32 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.078 1.323 . . . . 6.0 113.419 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -28.89 4.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 118.555 1.178 . . . . 6.0 110.689 173.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -48.8 117.13 1.91 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.22 1.008 . . . . 6.0 112.007 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.8 t -161.55 179.94 7.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.141 1.376 . . . . 6.0 110.517 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.57 142.71 37.11 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.966 0.907 . . . . 6.0 109.375 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -33.39 36.98 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.132 0.973 . . . . 6.0 113.151 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -62.5 -15.86 52.5 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.851 1.056 . . . . 6.0 113.851 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 59.9 m -110.78 10.99 22.59 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.769 2.028 . . . . 6.0 114.18 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.0 139.88 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.15 -0.969 . . . . 6.0 112.487 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.85 70.0 2.13 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.869 1.268 . . . . 6.0 111.525 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -119.39 18.77 12.86 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.553 2.056 . . . . 6.0 116.553 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 68.7 p -57.0 -19.2 16.99 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.533 1.679 . . . . 6.0 115.533 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -82.67 -26.4 32.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.813 -1.179 . . . . 6.0 111.737 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -35.79 82.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.297 1.839 . . . . 6.0 110.24 176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -45.34 -43.63 11.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.167 2.187 . . . . 6.0 112.027 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -62.38 -33.24 74.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.32 1.448 . . . . 6.0 114.324 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 -26.19 25.65 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.072 1.305 . . . . 6.0 112.713 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.39 -15.99 34.09 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.359 0.874 . . . . 6.0 113.359 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -58.25 -18.55 27.3 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.305 1.442 . . . . 6.0 112.928 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.78 -16.37 62.94 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.246 1.418 . . . . 6.0 112.818 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 82.34 150.26 8.48 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.876 1.703 . . . . 6.0 116.172 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.36 161.8 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.925 2.09 . . . . 6.0 111.318 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 70.5 m -68.5 117.22 9.97 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.289 -0.882 . . . . 6.0 109.903 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 17.5 mmt -72.72 -8.44 55.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.534 0.938 . . . . 6.0 113.534 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.7 m -132.43 155.28 48.78 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 128.042 2.537 . . . . 6.0 108.628 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -61.18 134.74 57.34 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.471 -0.768 . . . . 6.0 111.927 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 56.3 p -139.88 26.53 2.26 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.704 1.201 . . . . 6.0 113.558 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 41.6 p -71.46 -17.66 62.35 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.143 1.377 . . . . 6.0 114.569 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.81 166.5 26.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.666 1.586 . . . . 6.0 111.953 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.73 151.0 61.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.505 1.522 . . . . 6.0 111.798 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 C-N-CA 123.31 2.674 . . . . 6.0 112.458 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 112.765 0.654 . . . . 6.0 112.765 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.2 t -150.01 161.52 42.18 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.178 1.391 . . . . 6.0 111.787 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -179.05 172.59 44.77 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 125.088 1.327 . . . . 6.0 113.388 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.75 164.36 34.92 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.862 3.041 . . . . 6.0 112.891 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 32.9 p -71.33 -22.34 61.94 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.9 1.28 . . . . 6.0 113.694 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -152.43 166.56 31.55 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.34 2.256 . . . . 6.0 109.645 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.16 131.63 92.04 Favored Pre-proline 0 CA--C 1.555 1.165 0 O-C-N 121.444 -0.785 . . . . 6.0 113.059 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.38 -30.58 19.15 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.624 2.883 . . . . 6.0 114.435 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.59 -28.08 65.65 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.635 -1.291 . . . . 6.0 110.94 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -37.09 84.47 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.535 -0.728 . . . . 6.0 110.027 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -65.74 -36.74 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.811 0.844 . . . . 6.0 111.073 173.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -68.99 -43.25 75.26 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.207 -0.901 . . . . 6.0 110.987 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -49.3 66.62 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 117.405 -1.283 . . . . 6.0 111.636 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 3.0 pt -57.28 -35.99 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 121.675 2.034 . . . . 6.0 111.841 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.425 HE22 ' HG2' ' A' ' 431' ' ' PRO . 31.1 tt0 -72.84 -41.0 65.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.223 -0.923 . . . . 6.0 111.231 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -65.05 -30.0 70.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.499 1.12 . . . . 6.0 111.571 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -45.99 32.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.689 1.196 . . . . 6.0 109.692 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.97 -39.1 72.72 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.313 0.961 . . . . 6.0 112.264 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.28 -34.01 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.888 0.767 . . . . 6.0 110.554 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 6.4 tt -79.88 -33.4 40.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.522 1.529 . . . . 6.0 112.109 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.63 -54.81 29.96 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.472 -0.936 . . . . 6.0 108.472 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.42 -37.46 70.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.4 0.68 . . . . 6.0 111.024 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . 0.407 ' HB2' HD21 ' B' ' 441' ' ' LEU . 67.2 t60 -60.18 -58.43 8.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.743 0.701 . . . . 6.0 110.075 172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.36 68.13 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.525 0.935 . . . . 6.0 113.525 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -64.65 -46.85 80.72 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.409 -0.807 . . . . 6.0 111.627 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -70.7 -33.32 70.76 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.277 1.031 . . . . 6.0 112.083 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.41 -53.3 54.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.022 2.129 . . . . 6.0 109.933 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -60.17 -32.56 71.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.324 -0.86 . . . . 6.0 112.416 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -77.25 -26.77 52.87 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.341 1.238 . . . . 6.0 114.341 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -90.1 -30.93 17.36 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.791 1.178 . . . . 6.0 112.502 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.17 -40.14 80.7 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.76 1.224 . . . . 6.0 111.266 174.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -79.82 -6.05 56.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.394 1.078 . . . . 6.0 113.812 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -106.87 -48.51 3.49 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 6.0 113.818 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -90.13 156.23 18.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.152 1.381 . . . . 6.0 112.814 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -70.16 -27.55 72.75 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.498 0.57 . . . . 6.0 113.616 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.91 152.73 30.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.123 1.769 . . . . 6.0 111.266 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.44 143.33 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.756 1.623 . . . . 6.0 109.182 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -69.59 164.52 23.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.141 0.976 . . . . 6.0 113.177 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -71.69 126.71 30.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.785 0.834 . . . . 6.0 111.656 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 8.0 m -59.19 147.17 36.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.413 1.885 . . . . 6.0 114.899 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 19.2 m -76.47 -10.5 59.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.519 1.127 . . . . 6.0 112.692 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 73.6 mt -119.99 91.79 46.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.889 2.076 . . . . 6.0 109.209 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.99 -23.43 34.98 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.405 3.403 . . . . 6.0 116.16 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.0 -9.96 49.79 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.355 1.462 . . . . 6.0 113.772 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 43.2 t -44.37 -51.93 8.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.109 2.164 . . . . 6.0 112.324 179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -59.25 -44.8 92.37 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.377 1.071 . . . . 6.0 112.994 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -41.06 94.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.046 1.339 . . . . 6.0 111.379 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 19.9 tpp -76.95 -34.64 57.6 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.612 0.765 . . . . 6.0 112.97 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -56.95 -34.27 67.86 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.315 -1.491 . . . . 6.0 112.685 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -67.21 -34.27 77.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.502 0.721 . . . . 6.0 111.468 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.19 -42.72 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.808 0.843 . . . . 6.0 109.243 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 9.3 mt -56.69 -47.0 80.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.464 0.575 . . . . 6.0 111.501 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.52 -30.62 69.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.593 0.757 . . . . 6.0 112.989 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -75.76 -50.54 14.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.594 0.633 . . . . 6.0 110.104 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . 0.488 ' HE3' HD11 ' B' ' 452' ' ' LEU . 49.4 ttp -56.81 -26.5 58.12 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.069 1.748 . . . . 6.0 114.79 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.489 HG22 HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -61.19 -17.25 52.16 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 120.687 1.585 . . . . 6.0 112.859 177.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -110.49 5.78 21.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.95 2.1 . . . . 6.0 113.464 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.65 123.9 41.57 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.16 1.384 . . . . 6.0 113.255 -174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -140.28 -5.6 1.25 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.758 1.623 . . . . 6.0 114.256 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -79.29 10.38 3.74 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 117.385 2.365 . . . . 6.0 117.385 -172.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 60.42 -110.78 3.15 Favored Glycine 0 CA--C 1.533 1.214 0 O-C-N 120.995 -1.065 . . . . 6.0 114.954 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -16.27 63.34 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.125 1.37 . . . . 6.0 114.584 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.34 72.12 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.023 0.829 . . . . 6.0 112.371 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 14.0 t -72.92 135.69 45.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.034 0.934 . . . . 6.0 111.382 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -99.83 2.23 43.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.242 1.417 . . . . 6.0 113.029 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.22 126.6 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.42 1.088 . . . . 6.0 109.76 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.44 19.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.47 1.508 . . . . 6.0 114.696 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.89 -20.47 35.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.504 1.668 . . . . 6.0 115.504 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.96 -56.42 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 6.0 112.016 -177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.35 93.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.6 0.963 . . . . 6.0 113.6 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.1 p -72.05 -31.6 66.29 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.278 0.945 . . . . 6.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 57.0 m -71.02 -48.56 52.35 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.758 0.708 . . . . 6.0 110.283 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 23.4 ttp-105 -55.35 -39.17 69.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.696 1.199 . . . . 6.0 112.136 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -52.99 58.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.091 0.957 . . . . 6.0 110.527 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . 0.454 HG13 HD21 ' B' ' 465' ' ' LEU . 0.1 OUTLIER -65.6 -39.55 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.783 0.833 . . . . 6.0 113.126 -176.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.11 -42.98 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.74 0.7 . . . . 6.0 109.754 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 34.0 m -58.75 -41.36 86.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.472 0.709 . . . . 6.0 110.789 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.41 -48.39 78.0 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.198 0.999 . . . . 6.0 110.162 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.29 -34.84 64.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.176 1.39 . . . . 6.0 113.478 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -77.72 -9.35 58.95 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.488 1.515 . . . . 6.0 114.572 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -131.54 -25.42 2.14 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.489 2.033 . . . . 6.0 116.489 -174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.87 144.52 56.76 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.785 1.402 . . . . 6.0 114.785 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 24.2 p -83.81 64.2 7.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.256 1.822 . . . . 6.0 108.65 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -9.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 130.644 3.578 . . . . 6.0 119.948 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -62.38 -27.55 69.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.85 1.66 . . . . 6.0 114.319 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.82 11.24 2.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.072 1.508 . . . . 6.0 115.072 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.77 128.35 79.63 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.147 -0.97 . . . . 6.0 108.868 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -60.64 -24.57 78.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.241 2.627 . . . . 6.0 115.599 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 38.2 t -90.04 -33.37 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.189 0.904 . . . . 6.0 111.415 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 31.3 m -79.46 -37.06 37.79 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 6.0 113.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.9 -50.95 71.35 Favored Pre-proline 0 N--CA 1.471 0.624 0 N-CA-C 115.366 1.617 . . . . 6.0 115.366 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . 0.425 ' HG2' HE22 ' A' ' 354' ' ' GLN . 44.6 Cg_exo -62.66 -36.59 62.66 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 121.518 1.478 . . . . 6.0 112.813 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -44.18 78.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.71 0.804 . . . . 6.0 110.434 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -55.43 -38.36 68.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.143 1.377 . . . . 6.0 111.285 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.25 -47.42 17.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.139 0.975 . . . . 6.0 112.063 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.32 66.85 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.188 1.181 . . . . 6.0 114.188 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 9.9 t -61.8 -28.07 69.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.562 1.145 . . . . 6.0 112.394 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.57 113.42 25.24 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.653 1.181 . . . . 6.0 111.103 176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -87.43 -16.88 33.58 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.937 1.088 . . . . 6.0 113.937 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.681 1.592 . . . . 6.0 111.519 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 114.083 0.393 . . . . 6.0 114.083 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 8.7 t -148.66 160.37 43.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.245 1.418 . . . . 6.0 111.652 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -76.56 166.72 23.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.884 1.274 . . . . 6.0 112.846 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 52.2 ttm -76.89 72.03 3.45 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.877 1.271 . . . . 6.0 112.702 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.04 -33.86 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.663 1.185 . . . . 6.0 111.574 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 49.6 m -146.63 157.88 43.8 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.907 2.483 . . . . 6.0 109.432 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 9.5 t -148.29 148.07 30.03 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.434 0.902 . . . . 6.0 113.434 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -80.92 -11.86 59.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.84 1.256 . . . . 6.0 112.234 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -82.43 3.43 28.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.216 1.406 . . . . 6.0 114.132 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.95 145.08 17.99 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.619 1.581 . . . . 6.0 112.63 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -147.67 162.76 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.737 1.615 . . . . 6.0 111.624 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 95.99 126.84 5.17 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.759 1.647 . . . . 6.0 111.896 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 6.7 t -150.89 41.49 0.76 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.016 1.389 . . . . 6.0 111.992 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.49 -36.7 64.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.061 1.344 . . . . 6.0 113.186 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 63.1 p -66.56 -32.57 74.0 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.887 -1.133 . . . . 6.0 112.315 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -76.6 -35.58 58.03 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.823 -1.173 . . . . 6.0 110.496 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.92 -26.03 58.56 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.973 0.909 . . . . 6.0 111.593 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 11.4 tp -85.48 -54.12 4.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.898 2.079 . . . . 6.0 111.239 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.64 -27.2 68.77 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.534 1.679 . . . . 6.0 115.534 -176.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.89 17.65 5.5 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.73 1.752 . . . . 6.0 115.73 -175.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 362' ' ' HIS . 63.0 tp -135.59 153.9 51.52 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.841 1.657 . . . . 6.0 112.273 -175.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -95.56 146.39 24.5 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.02 1.328 . . . . 6.0 112.332 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -121.33 -179.71 4.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.709 2.004 . . . . 6.0 113.838 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.17 -17.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 118.592 2.812 . . . . 6.0 118.592 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.88 59.92 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.956 1.253 . . . . 6.0 112.41 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -89.06 -57.51 2.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.114 1.765 . . . . 6.0 111.508 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -149.41 152.63 36.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.429 2.292 . . . . 6.0 108.493 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -147.96 166.5 27.51 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.748 1.759 . . . . 6.0 115.748 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.04 10.01 25.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.927 2.491 . . . . 6.0 116.862 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -49.01 -32.76 12.34 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 117.006 1.563 . . . . 6.0 117.006 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -85.5 -12.23 52.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.421 1.267 . . . . 6.0 114.421 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 453' ' ' LEU . 0.0 OUTLIER -79.78 -42.45 24.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.855 1.262 . . . . 6.0 113.055 -177.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . 0.54 ' N ' HD13 ' B' ' 452' ' ' LEU . 5.1 tp -78.27 -8.03 57.89 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.336 0.865 . . . . 6.0 113.336 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 77.76 -171.78 55.15 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.421 1.01 . . . . 6.0 113.118 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.01 -34.61 78.11 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.855 1.057 . . . . 6.0 113.855 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 7.2 t -156.46 167.3 30.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.521 1.129 . . . . 6.0 112.751 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 35.2 p -137.26 157.58 46.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.252 2.221 . . . . 6.0 110.435 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -52.9 106.42 0.66 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.194 1.398 . . . . 6.0 113.288 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.38 -19.35 42.97 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.043 2.495 . . . . 6.0 115.037 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.76 69.9 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 121.613 -0.679 . . . . 6.0 113.14 174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.18 -21.27 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.593 1.197 . . . . 6.0 111.687 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.52 120.75 13.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.081 1.352 . . . . 6.0 109.124 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . . . . . . . . . 6.0 t -150.99 175.02 12.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.99 0.737 . . . . 6.0 112.99 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.87 124.29 22.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.174 0.99 . . . . 6.0 109.506 176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 414' ' ' ILE . 4.8 mt -59.53 -33.6 71.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.259 1.207 . . . . 6.0 114.259 -175.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -70.41 -1.61 11.2 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 113.487 0.921 . . . . 6.0 113.487 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 1.8 t -115.47 3.52 14.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.864 2.066 . . . . 6.0 113.494 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.71 135.65 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.256 1.423 . . . . 6.0 113.454 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -100.1 69.95 1.54 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.916 1.686 . . . . 6.0 110.552 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -98.41 19.67 14.01 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.962 1.705 . . . . 6.0 114.706 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 31.9 m -41.05 -42.62 1.99 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.406 1.883 . . . . 6.0 116.055 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -75.03 -29.22 60.74 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.899 0.879 . . . . 6.0 112.598 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -42.95 66.61 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.92 0.888 . . . . 6.0 109.341 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.53 -37.24 67.67 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.723 -0.61 . . . . 6.0 111.463 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.91 -29.69 65.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.508 1.523 . . . . 6.0 113.616 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.41 -33.91 48.36 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.973 1.26 . . . . 6.0 110.682 175.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -79.09 -14.19 59.29 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.414 1.086 . . . . 6.0 112.406 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -58.37 -19.77 38.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.253 1.821 . . . . 6.0 112.183 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -64.49 -15.7 61.24 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.276 1.43 . . . . 6.0 113.059 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 83.41 145.61 6.34 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.918 1.723 . . . . 6.0 116.262 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 27.5 m -83.22 166.72 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.985 1.714 . . . . 6.0 111.027 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 23.1 t -57.57 119.65 6.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.452 -0.78 . . . . 6.0 112.54 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 36.5 ttm -151.05 -36.86 0.13 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.345 1.458 . . . . 6.0 113.239 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 59.5 p -147.14 174.84 11.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.579 1.551 . . . . 6.0 112.311 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -58.7 -30.68 67.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.867 -1.146 . . . . 6.0 112.342 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 18.0 m -62.35 -27.43 69.05 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.725 1.21 . . . . 6.0 112.965 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 44.3 p -92.34 -20.92 20.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.987 1.315 . . . . 6.0 112.959 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -93.87 -34.48 13.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.854 1.261 . . . . 6.0 113.901 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.11 129.88 52.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.049 1.34 . . . . 6.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 C-N-CA 123.165 2.577 . . . . 6.0 112.372 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.849 0.685 . . . . 6.0 112.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' THR . . . . . . . . . . . . . 12.0 m -65.79 138.7 58.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.858 1.263 . . . . 6.0 111.935 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -72.76 170.22 51.57 Favored Glycine 0 CA--C 1.545 1.91 0 C-N-CA 124.357 0.98 . . . . 6.0 114.737 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.66 162.29 42.59 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.044 3.163 . . . . 6.0 112.956 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 34.1 p -72.71 -25.41 61.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.534 1.133 . . . . 6.0 113.545 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.56 24.9 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.931 1.693 . . . . 6.0 110.447 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.2 132.71 69.71 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 123.653 0.781 . . . . 6.0 112.452 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.66 -33.75 27.13 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.28 2.654 . . . . 6.0 114.363 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.34 -38.67 65.67 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.117 -0.989 . . . . 6.0 110.941 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.41 -46.17 89.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.25 -0.648 . . . . 6.0 109.25 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . . . . . . . . . 30.8 ttp-105 -63.26 -44.72 94.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.979 1.312 . . . . 6.0 112.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -65.02 -38.69 91.74 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.938 1.245 . . . . 6.0 111.702 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.51 61.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 118.021 -0.99 . . . . 6.0 111.533 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -36.85 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 121.087 1.767 . . . . 6.0 112.296 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.94 -44.42 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.636 1.107 . . . . 6.0 109.911 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -65.8 -41.03 92.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.895 0.878 . . . . 6.0 111.763 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.71 -42.67 90.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.055 0.843 . . . . 6.0 109.649 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.24 -56.07 25.45 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.193 0.906 . . . . 6.0 112.293 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -33.02 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.469 . . . . 6.0 112.268 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 2.4 tt -76.26 -37.3 57.8 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.893 0.877 . . . . 6.0 112.699 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.62 -55.49 19.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.911 1.284 . . . . 6.0 109.082 173.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.22 -30.6 69.5 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.747 0.819 . . . . 6.0 110.921 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -67.2 -58.17 5.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.494 0.588 . . . . 6.0 109.648 170.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.2 63.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.025 1.33 . . . . 6.0 114.126 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' HIS . . . . . 0.485 ' CE1' HD22 ' A' ' 391' ' ' LEU . 68.5 m80 -62.23 -44.68 96.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.501 -0.749 . . . . 6.0 111.921 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.79 -30.57 59.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.671 1.188 . . . . 6.0 111.891 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.425 ' HA ' ' HE ' ' A' ' 369' ' ' ARG . 18.3 t -60.85 -47.12 87.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.959 1.704 . . . . 6.0 110.758 175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -64.67 -20.8 66.51 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.308 -0.87 . . . . 6.0 112.9 175.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -90.07 -26.42 20.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.321 1.448 . . . . 6.0 113.864 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 366' ' ' CYS . 23.9 ptt180 -82.27 -32.7 29.47 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.64 1.109 . . . . 6.0 112.564 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.38 -25.8 65.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.13 0.877 . . . . 6.0 113.232 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -88.03 -10.66 49.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.276 1.03 . . . . 6.0 112.46 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -100.16 -10.01 21.89 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.092 1.757 . . . . 6.0 114.174 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -134.13 158.84 42.59 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.622 1.569 . . . . 6.0 112.165 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -71.68 -30.19 66.6 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.831 -0.543 . . . . 6.0 113.02 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.85 152.05 30.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.793 2.037 . . . . 6.0 110.601 176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.64 144.05 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.243 1.417 . . . . 6.0 110.448 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -71.16 160.13 33.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.001 1.32 . . . . 6.0 113.563 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' ALA . . . . . . . . . . . . . . . -61.7 146.45 49.17 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.957 1.303 . . . . 6.0 113.536 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' CYS . . . . . . . . . . . . . 57.6 m -69.16 152.79 44.69 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.796 1.638 . . . . 6.0 113.875 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' SER . . . . . . . . . . . . . 67.0 m -87.96 -12.98 42.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.163 0.985 . . . . 6.0 112.73 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.03 91.27 49.63 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 126.582 1.953 . . . . 6.0 109.948 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -47.66 -28.37 9.22 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 125.198 3.932 . . . . 6.0 118.918 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -64.21 -10.2 21.86 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.97 1.471 . . . . 6.0 114.97 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' CYS . . . . . . . . . . . . . 42.2 t -45.27 -46.82 12.84 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.008 2.123 . . . . 6.0 112.358 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.29 -32.99 68.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.194 1.553 . . . . 6.0 115.194 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 4.4 m -87.17 -38.58 16.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.627 0.771 . . . . 6.0 110.8 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 14.4 tpp -71.32 -37.21 71.78 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.393 0.886 . . . . 6.0 113.393 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.34 -32.88 65.1 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.481 -1.387 . . . . 6.0 113.027 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -67.33 -34.13 76.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.587 0.755 . . . . 6.0 111.779 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.28 -40.09 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.743 0.817 . . . . 6.0 109.521 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.485 HD22 ' CE1' ' A' ' 364' ' ' HIS . 13.4 mt -60.9 -41.97 97.09 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.861 -0.524 . . . . 6.0 111.648 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.34 -31.17 71.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.564 0.746 . . . . 6.0 112.116 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -74.69 -49.85 19.74 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.79 -0.569 . . . . 6.0 109.979 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.85 -24.09 65.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.605 1.705 . . . . 6.0 115.605 -175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -25.56 64.16 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 121.366 1.893 . . . . 6.0 111.48 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -103.87 7.01 36.87 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.263 2.225 . . . . 6.0 113.549 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 2.7 t -129.99 116.16 18.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.884 1.273 . . . . 6.0 112.816 -176.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.93 12.3 1.42 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.881 1.272 . . . . 6.0 113.733 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' ALA . . . . . . . . . . . . . . . -80.41 15.34 1.65 Allowed 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.261 1.949 . . . . 6.0 116.261 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . 54.66 -109.45 1.24 Allowed Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.02 1.295 . . . . 6.0 115.29 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -16.07 64.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.295 1.438 . . . . 6.0 114.775 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.28 77.86 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.706 1.002 . . . . 6.0 113.706 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' CYS . . . . . . . . . . . . . 6.2 t -75.98 141.98 42.06 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.66 0.743 . . . . 6.0 111.817 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -111.01 6.74 21.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.539 1.536 . . . . 6.0 113.206 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.83 129.88 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.452 1.101 . . . . 6.0 109.965 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -45.8 -58.57 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.148 1.779 . . . . 6.0 114.785 -176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.83 -27.79 36.4 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.083 1.512 . . . . 6.0 115.083 -175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.32 -55.2 37.84 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.169 1.387 . . . . 6.0 112.426 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.36 94.92 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.982 1.105 . . . . 6.0 113.982 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 25.6 p -69.31 -40.25 77.76 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.19 0.904 . . . . 6.0 111.937 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.2 m -62.57 -49.34 75.67 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.723 0.809 . . . . 6.0 110.544 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -55.78 -48.16 75.81 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.568 1.147 . . . . 6.0 112.615 177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' B' ' 463' ' ' THR . 33.1 tp60 -65.7 -35.48 80.87 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.231 0.923 . . . . 6.0 111.668 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.22 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.042 0.837 . . . . 6.0 110.506 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ILE . . . . . 0.463 HG23 HD11 ' B' ' 449' ' ' LEU . 72.1 mt -68.42 -43.69 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.825 0.739 . . . . 6.0 110.593 177.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.5 t -56.66 -42.92 79.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.779 0.718 . . . . 6.0 110.754 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -64.84 -47.32 78.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.225 0.61 . . . . 6.0 110.005 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -56.95 -38.04 72.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.082 1.353 . . . . 6.0 113.7 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -72.06 -7.86 51.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.522 1.529 . . . . 6.0 113.194 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -126.97 -31.38 2.63 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.715 1.746 . . . . 6.0 115.715 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' CYS . . . . . . . . . . . . . 30.0 t -78.19 118.98 20.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.73 1.15 . . . . 6.0 113.016 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 67.5 p -120.06 0.52 10.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.536 1.935 . . . . 6.0 113.354 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -70.19 140.71 52.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.722 1.609 . . . . 6.0 112.908 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -91.36 20.17 5.44 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.272 1.829 . . . . 6.0 113.733 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -139.14 2.19 2.08 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.453 1.501 . . . . 6.0 114.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' CYS . . . . . . . . . . . . . 4.1 t -70.16 122.76 87.25 Favored Pre-proline 0 CA--C 1.556 1.197 0 N-CA-C 108.097 -1.075 . . . . 6.0 108.097 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.69 -30.2 89.91 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.427 2.751 . . . . 6.0 116.716 -170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 19.0 t -90.19 -37.3 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.012 0.824 . . . . 6.0 111.993 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 13.8 m -74.78 -39.78 61.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.645 1.178 . . . . 6.0 113.031 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.44 -49.01 94.99 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 115.181 1.548 . . . . 6.0 115.181 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.1 -36.1 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 CA-C-N 122.16 1.807 . . . . 6.0 112.314 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' B' ' 443' ' ' PHE . 10.1 mt -73.1 -42.62 62.78 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.62 1.168 . . . . 6.0 113.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -62.74 -20.38 64.87 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.841 1.2 . . . . 6.0 112.664 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -89.06 -24.33 22.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.119 1.367 . . . . 6.0 112.621 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.05 63.4 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.369 0.986 . . . . 6.0 112.882 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . . . . . . . . . 69.1 m -75.1 -5.28 43.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.791 1.636 . . . . 6.0 113.149 174.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.1 168.27 13.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.364 1.866 . . . . 6.0 112.513 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.99 -4.78 40.29 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.046 1.499 . . . . 6.0 115.046 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.668 1.587 . . . . 6.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 114.781 0.673 . . . . 6.0 114.781 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' SER . . . . . . . . . . . . . 9.3 t -75.66 155.73 35.49 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.667 1.187 . . . . 6.0 112.62 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 155.1 41.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.829 1.252 . . . . 6.0 113.058 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' MET . . . . . . . . . . . . . 65.3 mtt -120.68 139.94 52.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.138 1.375 . . . . 6.0 110.725 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -97.57 -0.98 44.89 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.635 1.346 . . . . 6.0 114.635 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' SER . . . . . . . . . . . . . 19.5 m -79.42 44.25 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.07 1.748 . . . . 6.0 113.442 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' THR . . . . . . . . . . . . . 13.6 t -151.62 162.07 41.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.759 1.623 . . . . 6.0 111.59 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -146.35 154.04 41.21 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.239 1.415 . . . . 6.0 112.523 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -149.55 163.05 38.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.706 1.602 . . . . 6.0 111.616 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -67.25 140.63 37.84 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.862 0.744 . . . . 6.0 113.017 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.71 -8.22 26.49 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.279 1.215 . . . . 6.0 114.279 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 69.58 -151.23 50.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.109 0.861 . . . . 6.0 113.161 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' THR . . . . . . . . . . . . . 66.5 p -132.86 161.31 34.52 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.575 1.95 . . . . 6.0 109.978 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.68 -39.45 94.0 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.613 -0.679 . . . . 6.0 111.497 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' SER . . . . . . . . . . . . . 62.6 p -68.35 -20.99 64.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.407 -0.808 . . . . 6.0 112.557 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.18 -32.11 61.15 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.835 -1.166 . . . . 6.0 110.213 172.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.23 -19.74 55.76 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.119 0.872 . . . . 6.0 112.492 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 3.1 tt -86.32 -35.41 19.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.973 2.109 . . . . 6.0 112.752 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 82.4 mt -102.59 -9.91 19.73 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.281 1.586 . . . . 6.0 115.281 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -0.89 51.76 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.494 2.035 . . . . 6.0 116.494 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.81 164.07 31.21 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.798 1.239 . . . . 6.0 112.83 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -68.05 119.3 12.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.201 1.0 . . . . 6.0 110.313 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 432' ' ' LEU . 9.9 t80 -88.6 -179.79 6.11 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.079 1.352 . . . . 6.0 112.874 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.15 41.11 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 130.681 3.593 . . . . 6.0 116.415 -176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -96.81 -37.06 10.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.681 1.592 . . . . 6.0 114.154 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.47 -27.41 27.5 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.294 1.22 . . . . 6.0 114.294 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -148.27 169.98 18.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.052 2.141 . . . . 6.0 110.021 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.91 147.22 28.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.106 1.362 . . . . 6.0 111.767 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 415' ' ' ILE . 1.3 pp -79.29 -3.18 44.78 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 118.706 2.854 . . . . 6.0 118.706 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . . . . . . . . . . . -45.08 -31.11 2.82 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 117.337 1.695 . . . . 6.0 117.337 -173.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 451' ' ' ALA . . . . . . . . . . . . . . . -64.21 -28.39 69.71 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.95 1.463 . . . . 6.0 114.95 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -32.53 47.31 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.124 1.329 . . . . 6.0 113.02 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.12 -38.28 61.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.163 0.438 . . . . 6.0 110.333 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . 71.19 -172.08 45.0 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.668 1.128 . . . . 6.0 114.062 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 455' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -90.25 -16.61 29.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.251 1.02 . . . . 6.0 113.459 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 456' ' ' SER . . . . . . . . . . . . . 19.9 m -80.14 45.28 0.73 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.568 1.547 . . . . 6.0 113.841 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 457' ' ' THR . . . . . . . . . . . . . 40.8 p -77.82 172.81 12.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.609 1.564 . . . . 6.0 112.8 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.61 84.24 36.35 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.526 1.531 . . . . 6.0 111.19 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 459' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -50.53 -19.48 4.96 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.555 3.504 . . . . 6.0 116.626 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -63.21 -17.46 59.26 Favored Glycine 0 CA--C 1.544 1.855 0 CA-C-N 119.508 1.049 . . . . 6.0 113.128 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 461' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -11.78 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.814 1.646 . . . . 6.0 112.558 177.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.91 121.9 15.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.486 1.114 . . . . 6.0 112.215 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 463' ' ' THR . . . . . 0.457 ' H ' ' NE2' ' A' ' 413' ' ' GLN . 9.5 t -155.45 171.77 19.34 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.793 1.637 . . . . 6.0 110.836 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.14 144.5 57.17 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.437 1.095 . . . . 6.0 111.425 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -37.18 62.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.307 1.043 . . . . 6.0 112.182 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 466' ' ' ALA . . . . . . . . . . . . . . . -69.61 -5.75 26.69 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.093 1.146 . . . . 6.0 114.093 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 50.5 m -112.34 6.11 18.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.687 1.995 . . . . 6.0 113.329 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 468' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.07 129.41 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.316 1.447 . . . . 6.0 112.267 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 469' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.49 69.82 7.05 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.01 -1.056 . . . . 6.0 112.505 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 470' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -104.51 13.47 31.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.413 1.485 . . . . 6.0 114.873 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . . . . . . . . . 19.5 m -48.25 -33.55 8.86 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.537 1.68 . . . . 6.0 115.537 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 472' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -87.69 -23.0 24.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.801 1.241 . . . . 6.0 113.135 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.41 -29.11 65.63 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.812 -1.18 . . . . 6.0 110.731 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 474' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -58.33 -30.32 66.62 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.041 -1.037 . . . . 6.0 112.791 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 475' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -74.53 -35.81 63.16 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.184 0.994 . . . . 6.0 112.295 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.01 -49.64 64.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.583 1.153 . . . . 6.0 108.994 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 66.8 mt -71.69 -0.97 12.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.142 1.534 . . . . 6.0 115.142 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 478' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -93.46 -9.07 39.74 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.093 -1.004 . . . . 6.0 111.869 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 479' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -99.67 59.58 1.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.478 1.911 . . . . 6.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 480' ' ' GLY . . . . . . . . . . . . . . . 159.57 -129.72 2.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.684 1.612 . . . . 6.0 111.268 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.26 101.89 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.266 1.026 . . . . 6.0 111.39 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 482' ' ' SER . . . . . . . . . . . . . 38.1 t -153.88 152.13 30.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.424 1.089 . . . . 6.0 112.315 -177.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 483' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.13 1.53 18.87 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.842 1.657 . . . . 6.0 111.597 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . . . . . . . . . 70.1 m -93.91 165.48 12.65 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.156 1.782 . . . . 6.0 111.417 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 485' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -68.14 141.73 55.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.456 -0.778 . . . . 6.0 112.145 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 486' ' ' SER . . . . . . . . . . . . . 10.1 t -151.71 158.0 42.79 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.363 1.465 . . . . 6.0 110.936 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 487' ' ' THR . . . . . . . . . . . . . 38.7 m -133.17 137.86 46.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.1 1.36 . . . . 6.0 111.534 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 488' ' ' ALA . . . . . . . . . . . . . . . -146.6 157.6 43.75 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.626 1.57 . . . . 6.0 111.61 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 489' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.68 132.27 72.33 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.895 0.878 . . . . 6.0 111.257 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 490' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.258 2.639 . . . . 6.0 112.494 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_