data_6o7g_residue ############################ # Computer software used # ############################ 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 6o7g _Structure_validation_residue.Date_analyzed 2019-05-17 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 ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.923 0.729 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 118.253 -0.879 . . . . 0.0 113.31 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.19 0.519 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 CA-C-O 119.481 -0.622 . . . . 0.0 114.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1507 ' ' CYS . . . . . 0.454 ' H ' ' HA ' ' B' 1512 ' ' ALA . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1512 ' ' ALA . . . . . 0.454 ' HA ' ' H ' ' B' 1507 ' ' CYS 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 121.514 0.673 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 N-CA-C 115.608 1.003 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 12.9 p . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 N-CA-C 114.483 0.553 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.987 0.422 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1524 ' ' ARG . . . . . 0.417 ' HE ' ' CE1' ' B' 1525 ' ' HIS . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1525 ' ' HIS . . . . . 0.417 ' CE1' ' HE ' ' B' 1524 ' ' ARG . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.338 0 CA-C-O 119.728 -0.484 . . . . 0.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.209 0 CA-C-O 118.687 -1.063 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1503 ' ' SER . . . . . 0.428 ' N ' HH12 ' B' 1528 ' ' ARG . 23.3 t . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp -135.25 -43.16 0.71 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.602 1.561 . . . . 0.0 113.755 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1528 ' ' ARG . . . . . 0.428 HH12 ' N ' ' B' 1503 ' ' SER . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 12.5 p -72.64 -176.65 2.02 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -42.35 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.339 1.055 . . . . 0.0 112.71 -171.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 26.1 m -73.1 -23.36 60.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.742 0.817 . . . . 0.0 113.043 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 46.3 m -80.45 -8.14 59.43 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.297 -0.877 . . . . 0.0 111.995 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.85 -56.13 27.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.011 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.02 -38.44 9.41 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 121.568 1.596 . . . . 0.0 113.074 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -77.68 -42.74 33.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.8 p -151.8 33.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.8 p -58.68 124.16 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 119.938 -1.726 . . . . 0.0 113.355 -170.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.591 1.956 . . . . 0.0 113.06 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 120.159 0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.72 14.39 75.77 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.619 1.008 . . . . 0.0 115.619 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.91 -39.96 2.26 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.963 1.381 . . . . 0.0 115.561 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 146.34 51.84 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -149.4 127.88 12.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.685 1.194 . . . . 0.0 110.809 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.36 156.99 32.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.087 1.355 . . . . 0.0 112.832 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 . 178.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp -143.98 -48.88 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.147 1.379 . . . . 0.0 113.579 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p -93.15 -128.31 0.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 56.0 t -111.19 -45.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 128.087 2.555 . . . . 0.0 112.031 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 50.6 m -69.59 -19.57 63.66 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -45.47 89.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.086 1.354 . . . . 0.0 110.579 174.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.88 -49.38 89.75 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.03 -34.71 2.83 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.49 2.127 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -97.85 -56.55 2.47 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.54 -27.26 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -171.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 74.2 t -60.29 122.05 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.582 0.753 . . . . 0.0 111.237 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 126.832 2.053 . . . . 0.0 112.877 -176.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.602 0 CA-C-O 120.526 0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.47 -132.05 47.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.268 0.461 . . . . 0.0 112.382 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 42.77 1.45 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.457 1.503 . . . . 0.0 114.923 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.66 22.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -147.85 132.43 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.013 0.925 . . . . 0.0 110.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.08 158.55 23.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.719 1.208 . . . . 0.0 112.892 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.26 0 C-N-CA 124.633 1.173 . . . . 0.0 . 179.302 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp 62.06 -77.46 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.335 2.254 . . . . 0.0 113.31 -176.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p -70.41 177.65 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -34.93 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 114.319 -1.31 . . . . 0.0 112.653 -175.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 22.1 t -76.15 -28.54 57.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.404 1.082 . . . . 0.0 113.014 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 13.5 m -74.42 -22.64 59.04 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.824 -1.172 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -52.24 -55.74 28.63 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.349 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.63 -46.33 0.9 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.0 1.8 . . . . 0.0 113.661 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.91 -39.75 61.27 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.03 -24.98 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -150.98 -34.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.699 1.6 . . . . 0.0 113.221 -175.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 120.075 -0.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.66 -161.85 52.53 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.615 1.102 . . . . 0.0 113.997 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.48 9.77 86.75 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.91 151.37 52.05 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -151.75 -44.63 0.11 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 59.52 176.34 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.108 1.763 . . . . 0.0 114.277 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.296 0 C-N-CA 124.944 1.298 . . . . 0.0 . -178.755 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.27 -36.84 19.11 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.067 0.947 . . . . 0.0 110.592 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p -90.43 -135.77 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 1.8 t -114.91 -33.66 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.936 1.294 . . . . 0.0 113.12 -170.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 40.1 m -74.47 -25.05 59.15 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.78 99.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.109 1.364 . . . . 0.0 111.41 175.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -52.82 -52.49 64.2 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.136 1.374 . . . . 0.0 112.916 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.55 -30.35 5.12 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.864 2.376 . . . . 0.0 114.969 173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -98.17 -76.27 0.53 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.3 p -73.04 -29.5 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 33.7 m -109.5 17.08 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.315 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 127.479 2.312 . . . . 0.0 112.927 178.151 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 120.282 0.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 -104.33 0.81 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.538 1.066 . . . . 0.0 112.809 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.53 -9.55 78.24 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.34 153.12 48.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -151.07 64.84 0.9 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.603 1.961 . . . . 0.0 109.524 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.17 -25.72 64.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.142 0 C-N-CA 124.491 1.116 . . . . 0.0 . 179.092 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.46 -63.77 0.42 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.564 1.946 . . . . 0.0 111.324 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.8 p -68.91 -178.63 1.26 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 58.9 t -52.33 -35.75 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 127.423 2.289 . . . . 0.0 113.556 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 49.5 m -92.2 -35.87 13.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.994 0.917 . . . . 0.0 112.617 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 56.5 m -63.39 -31.01 72.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.73 0.412 . . . . 0.0 111.113 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.46 -61.31 5.23 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 116.986 -1.483 . . . . 0.0 112.766 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.72 -36.16 40.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.037 2.491 . . . . 0.0 114.686 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -73.99 -29.18 61.83 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.5 -31.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 117.859 2.541 . . . . 0.0 117.859 -169.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 28.6 m -64.14 -23.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 120.621 1.555 . . . . 0.0 112.865 -169.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.239 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 111.657 168.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 120.103 0.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.96 170.58 54.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.617 1.103 . . . . 0.0 114.394 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.27 -59.16 4.01 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.366 1.46 . . . . 0.0 114.605 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.62 38.58 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.22 165.51 27.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.51 2.324 . . . . 0.0 110.64 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -64.29 -32.26 73.78 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 113.684 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.248 0 C-N-CA 125.123 1.369 . . . . 0.0 . 178.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp -135.31 -37.18 0.78 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 114.1 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1507 ' ' CYS . . . . . 0.454 ' H ' ' HA ' ' B' 1512 ' ' ALA . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1512 ' ' ALA . . . . . 0.454 ' HA ' ' H ' ' B' 1507 ' ' CYS 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p -83.01 -172.97 4.43 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 10.5 t -71.5 -18.95 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 128.113 2.565 . . . . 0.0 112.766 -169.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 53.6 m -94.4 -43.18 8.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.311 1.044 . . . . 0.0 112.305 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 31.8 p -75.45 -24.97 57.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.01 -52.33 73.42 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-N 119.754 1.161 . . . . 0.0 112.619 169.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -54.89 -41.99 73.24 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.721 2.281 . . . . 0.0 113.055 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -65.77 -38.33 88.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.378 0.99 . . . . 0.0 113.491 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 5.4 p -88.66 -34.9 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 17.3 m -138.12 5.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 125.337 1.455 . . . . 0.0 112.959 178.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 120.276 0.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 14.91 79.8 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.697 1.039 . . . . 0.0 115.697 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.49 -38.92 2.29 Favored Glycine 0 N--CA 1.476 1.362 0 CA-C-N 119.047 1.424 . . . . 0.0 115.364 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.04 149.73 40.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -58.66 -29.42 66.55 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.869 1.267 . . . . 0.0 114.258 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -148.86 127.15 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.314 1.046 . . . . 0.0 111.588 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.077 0 C-N-CA 125.001 1.321 . . . . 0.0 . 175.504 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp -151.83 165.42 34.55 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.0 2.12 . . . . 0.0 109.794 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m -59.05 164.53 2.95 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 89.6 t -58.69 -31.9 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.316 1.047 . . . . 0.0 112.774 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 51.7 p -92.6 -30.53 15.57 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.54 1.536 . . . . 0.0 113.587 174.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 65.1 m -62.9 -31.13 72.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.924 0.89 . . . . 0.0 110.461 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.2 -57.6 24.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.254 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -51.15 -35.43 51.86 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.855 2.37 . . . . 0.0 114.478 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -71.85 -48.25 47.31 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.8 p -79.57 -36.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.55 1.54 . . . . 0.0 114.327 -176.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 12.6 t -85.05 57.94 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.125 1.77 . . . . 0.0 107.401 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.361 1.464 . . . . 0.0 112.699 -169.203 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 119.293 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.4 174.0 40.54 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 127.272 2.368 . . . . 0.0 114.998 2.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.9 -16.31 79.42 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 -177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.06 51.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -133.74 152.01 51.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.712 1.205 . . . . 0.0 110.112 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 63.22 17.97 10.62 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 C-N-CA 124.703 1.201 . . . . 0.0 . -178.573 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp 64.67 160.62 0.11 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.075 2.15 . . . . 0.0 112.692 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p -83.35 176.16 9.32 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -10.47 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 127.115 2.166 . . . . 0.0 113.792 -174.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 63.6 m -101.45 -39.9 7.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.623 1.169 . . . . 0.0 111.497 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 66.6 m -65.72 -33.17 75.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.675 0.79 . . . . 0.0 111.03 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -55.85 -57.64 20.53 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.354 -1.308 . . . . 0.0 113.478 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.77 -36.74 52.73 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.052 2.501 . . . . 0.0 114.731 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -71.71 -43.86 65.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.4 p -87.68 -34.29 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 46.1 t -63.01 127.36 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 110.007 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 123.895 0.878 . . . . 0.0 111.971 -169.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 119.83 -0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.51 9.2 87.23 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.68 -176.31 47.43 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.82 152.29 41.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -70.9 -24.86 62.56 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.84 0.856 . . . . 0.0 113.222 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.78 149.69 52.3 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 0.0 112.474 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 C-N-CA 125.515 1.526 . . . . 0.0 . -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp 60.02 -71.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.512 2.725 . . . . 0.0 114.945 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p -87.51 -166.77 1.67 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.4 t -72.61 -35.21 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 O-C-N 121.171 -0.955 . . . . 0.0 112.851 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.4 m -79.83 -17.14 54.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.338 1.055 . . . . 0.0 113.636 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 4.5 m -59.68 -35.75 75.1 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.154 -0.966 . . . . 0.0 110.49 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -56.56 -57.98 19.99 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.07 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -65.61 -25.69 54.47 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.211 1.941 . . . . 0.0 113.833 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -71.39 -46.39 60.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.059 1.3 . . . . 0.0 112.81 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.7 p -83.21 -32.89 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.0 m -132.77 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.855 1.662 . . . . 0.0 110.791 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 112.799 -175.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.4 0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.8 56.45 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 116.801 1.481 . . . . 0.0 116.801 -170.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.85 -26.04 6.28 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 119.271 1.536 . . . . 0.0 115.608 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.2 141.29 45.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -141.68 143.27 33.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -171.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -66.85 146.63 54.21 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.984 1.314 . . . . 0.0 113.81 -171.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.193 0 C-N-CA 124.67 1.188 . . . . 0.0 . 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.59 -13.71 1.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 12.9 p -69.61 -179.67 1.82 Allowed 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 60.3 t -51.94 -36.84 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 128.012 2.525 . . . . 0.0 113.52 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 47.5 m -90.71 -34.31 15.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.462 1.105 . . . . 0.0 112.489 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 57.0 m -65.61 -31.31 72.28 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.986 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.21 -56.67 21.69 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.0 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.24 -36.78 87.32 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.118 2.546 . . . . 0.0 114.28 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -71.56 -36.5 70.95 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 2.5 p -101.02 -28.14 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 -169.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.2 p -150.18 -25.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 125.37 1.468 . . . . 0.0 113.046 -174.408 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.489 0 CA-C-O 120.343 0.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.43 150.0 14.47 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.463 1.03 . . . . 0.0 113.222 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.07 -55.88 2.71 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.609 1.576 . . . . 0.0 114.483 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.29 137.96 29.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -147.75 145.53 28.86 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.955 1.702 . . . . 0.0 110.65 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -148.17 148.28 30.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.889 1.276 . . . . 0.0 111.509 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.2 0 C-N-CA 125.386 1.474 . . . . 0.0 . -177.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.78 -27.74 55.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.395 1.078 . . . . 0.0 111.545 169.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p -76.4 -176.35 3.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -10.28 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 127.71 2.404 . . . . 0.0 113.296 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 27.8 t -111.59 -41.23 4.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.644 1.578 . . . . 0.0 111.771 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 64.0 m -64.8 -36.07 83.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.6 -55.21 45.39 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.719 171.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -46.95 -39.03 24.57 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.878 2.385 . . . . 0.0 115.179 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.37 -40.94 57.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -32.77 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.29 119.87 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.95 0.9 . . . . 0.0 110.724 -170.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.083 2.153 . . . . 0.0 112.185 -174.209 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 120.042 -0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.06 -150.64 34.16 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.833 1.206 . . . . 0.0 113.315 -175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.22 10.27 69.08 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 172.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.75 151.39 21.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -74.5 -36.69 63.23 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.688 0.795 . . . . 0.0 113.009 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -69.26 162.82 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.85 1.66 . . . . 0.0 113.052 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.966 0.906 . . . . 0.0 . 174.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp -132.88 -39.97 0.95 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.845 1.658 . . . . 0.0 111.315 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p -84.07 -175.53 5.84 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 3.8 t -67.23 -38.25 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.324 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 24.9 m -74.44 -22.02 59.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.243 -0.911 . . . . 0.0 112.674 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.72 78.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.777 0.831 . . . . 0.0 110.285 174.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -54.47 -57.58 18.03 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.9 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.05 -31.09 55.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.372 2.048 . . . . 0.0 114.176 172.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -65.99 -43.03 88.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.806 1.184 . . . . 0.0 112.885 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.9 p -93.0 -28.44 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -151.43 -35.34 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 125.883 1.673 . . . . 0.0 113.175 -175.635 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 120.19 0.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -155.4 40.7 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.807 1.194 . . . . 0.0 113.316 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.04 71.24 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.93 146.82 26.89 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -155.06 146.33 22.87 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.463 1.505 . . . . 0.0 111.121 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -62.5 149.3 43.28 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.334 1.054 . . . . 0.0 113.088 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.775 1.23 . . . . 0.0 . 179.122 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 -36.73 84.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.549 1.14 . . . . 0.0 110.401 169.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1524 ' ' ARG . . . . . 0.417 ' HE ' ' CE1' ' B' 1525 ' ' HIS . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1525 ' ' HIS . . . . . 0.417 ' CE1' ' HE ' ' B' 1524 ' ' ARG . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p -82.66 -125.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.53 -33.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -170.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.8 p -85.1 -23.1 28.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.859 1.209 . . . . 0.0 113.741 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.6 p -62.33 -39.19 92.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.985 1.314 . . . . 0.0 112.058 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -52.24 -52.04 66.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.346 1.458 . . . . 0.0 113.18 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -75.24 -34.66 3.46 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.786 2.324 . . . . 0.0 114.446 170.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -84.61 -78.98 0.23 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.509 1.049 . . . . 0.0 113.362 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.71 -38.39 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -27.22 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.789 1.236 . . . . 0.0 110.807 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 128.547 2.739 . . . . 0.0 113.852 -177.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 120.339 0.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 -118.77 10.26 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.77 62.25 2.01 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.816 1.198 . . . . 0.0 112.901 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.24 150.14 45.16 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.76 165.91 26.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.609 1.564 . . . . 0.0 111.878 173.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.88 -172.54 2.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.531 1.532 . . . . 0.0 110.944 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 C-N-CA 124.538 1.135 . . . . 0.0 . -179.774 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 100.0 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.21 -21.03 0.29 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -174.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p -70.66 176.34 4.24 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.2 t -66.82 -39.52 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.823 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 2.7 m -65.13 -25.06 67.6 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.662 1.185 . . . . 0.0 113.214 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 9.6 m -82.52 -18.31 41.96 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.029 0.932 . . . . 0.0 112.25 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.65 -48.01 74.63 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.075 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -69.69 -37.4 9.4 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 122.417 2.078 . . . . 0.0 114.391 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -79.1 -81.68 0.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 113.27 -174.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.7 p -80.05 -39.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -170.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.8 t -73.52 -26.48 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.728 0.811 . . . . 0.0 110.456 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 C--O 1.238 0.469 0 C-N-CA 128.377 2.671 . . . . 0.0 112.816 175.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 119.443 -0.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.35 176.73 47.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 127.151 2.31 . . . . 0.0 114.738 2.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.23 88.28 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.44 151.97 50.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -147.75 146.73 29.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.811 1.245 . . . . 0.0 111.476 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -66.36 153.4 42.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.944 0.898 . . . . 0.0 112.435 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 124.845 1.258 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.67 1.17 52.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.014 1.726 . . . . 0.0 113.555 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p -86.1 -136.86 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.0 t -110.75 -40.75 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 20.9 t -66.83 -23.62 66.06 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 122.625 1.202 . . . . 0.0 113.174 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.7 p -76.58 -24.78 53.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.67 1.588 . . . . 0.0 113.234 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -56.03 -47.11 99.47 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-O 117.787 -1.101 . . . . 0.0 112.724 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -79.03 -40.81 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.054 1.836 . . . . 0.0 114.079 169.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -94.2 -24.83 17.34 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 118.364 2.728 . . . . 0.0 118.364 -168.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.4 p -154.06 75.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.674 1.579 . . . . 0.0 113.326 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 26.8 m -70.39 144.78 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.764 -1.21 . . . . 0.0 110.321 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.387 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 120.16 0.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.82 -20.11 63.89 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.292 0.948 . . . . 0.0 115.077 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 8.31 40.46 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.094 1.33 . . . . 0.0 115.061 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.97 158.04 42.48 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -70.45 -19.31 62.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -151.69 155.57 38.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.465 1.506 . . . . 0.0 111.312 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.03 0 C-N-CA 125.306 1.442 . . . . 0.0 . 179.754 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.832 HG23 ' HB2' ' B' 1512 ' ' ALA . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.832 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1523 ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1553 ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.5 p . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' 1512 ' ' ALA . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.846 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.923 0.729 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 118.253 -0.879 . . . . 0.0 113.31 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.854 HG23 ' HB2' ' B' 1512 ' ' ALA . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.854 ' HB2' HG23 ' B' 1506 ' ' THR 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.19 0.519 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.855 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.855 ' HB2' HG23 ' B' 1506 ' ' THR . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1523 ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1553 ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 13.8 p . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 CA-C-O 119.481 -0.622 . . . . 0.0 114.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.879 HG23 ' HB2' ' B' 1512 ' ' ALA . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.879 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 121.514 0.673 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.849 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.849 ' HB2' HG23 ' B' 1506 ' ' THR 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.925 HG23 ' HB2' ' B' 1512 ' ' ALA . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.925 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 N-CA-C 115.608 1.003 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' 1512 ' ' ALA . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.528 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1523 ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1553 ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.9 p . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 N-CA-C 114.483 0.553 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1507 ' ' CYS . . . . . 0.445 ' H ' ' HA ' ' B' 1512 ' ' ALA . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' B' 1507 ' ' CYS . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.987 0.422 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.507 HG23 ' HB2' ' B' 1512 ' ' ALA . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.338 0 CA-C-O 119.728 -0.484 . . . . 0.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.86 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.86 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1506 ' ' THR . . . . . 0.892 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1512 ' ' ALA . . . . . 0.892 ' HB2' HG23 ' B' 1506 ' ' THR 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.209 0 CA-C-O 118.687 -1.063 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1503 ' ' SER . . . . . 0.439 ' N ' HH11 ' B' 1528 ' ' ARG . 23.3 t . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp -135.25 -43.16 0.71 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.602 1.561 . . . . 0.0 113.755 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.832 HG23 ' HB2' ' B' 1512 ' ' ALA . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.832 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1523 ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1528 ' ' ARG . . . . . 0.439 HH11 ' N ' ' B' 1503 ' ' SER . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1553 ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.5 p -72.64 -176.65 2.02 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -42.35 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.339 1.055 . . . . 0.0 112.71 -171.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 26.1 m -73.1 -23.36 60.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.742 0.817 . . . . 0.0 113.043 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 46.3 m -80.45 -8.14 59.43 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.297 -0.877 . . . . 0.0 111.995 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.85 -56.13 27.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.011 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.02 -38.44 9.41 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 121.568 1.596 . . . . 0.0 113.074 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -77.68 -42.74 33.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.8 p -151.8 33.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.8 p -58.68 124.16 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 119.938 -1.726 . . . . 0.0 113.355 -170.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.591 1.956 . . . . 0.0 113.06 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 120.159 0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.72 14.39 75.77 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.619 1.008 . . . . 0.0 115.619 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.91 -39.96 2.26 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.963 1.381 . . . . 0.0 115.561 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 146.34 51.84 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -149.4 127.88 12.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.685 1.194 . . . . 0.0 110.809 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.36 156.99 32.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.087 1.355 . . . . 0.0 112.832 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 . 178.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp -143.98 -48.88 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.147 1.379 . . . . 0.0 113.579 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' 1512 ' ' ALA . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.846 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p -93.15 -128.31 0.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 56.0 t -111.19 -45.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 128.087 2.555 . . . . 0.0 112.031 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 50.6 m -69.59 -19.57 63.66 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -45.47 89.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.086 1.354 . . . . 0.0 110.579 174.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.88 -49.38 89.75 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.03 -34.71 2.83 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.49 2.127 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -97.85 -56.55 2.47 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.54 -27.26 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -171.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 74.2 t -60.29 122.05 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.582 0.753 . . . . 0.0 111.237 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 126.832 2.053 . . . . 0.0 112.877 -176.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.602 0 CA-C-O 120.526 0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.47 -132.05 47.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.268 0.461 . . . . 0.0 112.382 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 42.77 1.45 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.457 1.503 . . . . 0.0 114.923 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.66 22.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -147.85 132.43 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.013 0.925 . . . . 0.0 110.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.08 158.55 23.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.719 1.208 . . . . 0.0 112.892 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.26 0 C-N-CA 124.633 1.173 . . . . 0.0 . 179.302 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp 62.06 -77.46 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.335 2.254 . . . . 0.0 113.31 -176.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.854 HG23 ' HB2' ' B' 1512 ' ' ALA . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.854 ' HB2' HG23 ' B' 1506 ' ' THR 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p -70.41 177.65 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -34.93 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 114.319 -1.31 . . . . 0.0 112.653 -175.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 22.1 t -76.15 -28.54 57.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.404 1.082 . . . . 0.0 113.014 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 13.5 m -74.42 -22.64 59.04 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.824 -1.172 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -52.24 -55.74 28.63 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.349 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.63 -46.33 0.9 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.0 1.8 . . . . 0.0 113.661 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.91 -39.75 61.27 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.03 -24.98 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -150.98 -34.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.699 1.6 . . . . 0.0 113.221 -175.208 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 120.075 -0.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.66 -161.85 52.53 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.615 1.102 . . . . 0.0 113.997 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.48 9.77 86.75 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.91 151.37 52.05 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -151.75 -44.63 0.11 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 59.52 176.34 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.108 1.763 . . . . 0.0 114.277 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.296 0 C-N-CA 124.944 1.298 . . . . 0.0 . -178.755 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.27 -36.84 19.11 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.067 0.947 . . . . 0.0 110.592 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p -90.43 -135.77 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 1.8 t -114.91 -33.66 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.936 1.294 . . . . 0.0 113.12 -170.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 40.1 m -74.47 -25.05 59.15 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.78 99.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.109 1.364 . . . . 0.0 111.41 175.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -52.82 -52.49 64.2 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.136 1.374 . . . . 0.0 112.916 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.55 -30.35 5.12 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.864 2.376 . . . . 0.0 114.969 173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -98.17 -76.27 0.53 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.3 p -73.04 -29.5 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 33.7 m -109.5 17.08 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.315 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 127.479 2.312 . . . . 0.0 112.927 178.151 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 120.282 0.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 -104.33 0.81 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.538 1.066 . . . . 0.0 112.809 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.53 -9.55 78.24 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.34 153.12 48.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALY . . . . . 0.444 ' HE2' HH31 ' A' ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -151.07 64.84 0.9 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.603 1.961 . . . . 0.0 109.524 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.17 -25.72 64.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.142 0 C-N-CA 124.491 1.116 . . . . 0.0 . 179.092 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.46 -63.77 0.42 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.564 1.946 . . . . 0.0 111.324 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.855 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.855 ' HB2' HG23 ' B' 1506 ' ' THR . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1523 ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1553 ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 13.8 p -68.91 -178.63 1.26 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 58.9 t -52.33 -35.75 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 127.423 2.289 . . . . 0.0 113.556 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 49.5 m -92.2 -35.87 13.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.994 0.917 . . . . 0.0 112.617 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 56.5 m -63.39 -31.01 72.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.73 0.412 . . . . 0.0 111.113 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1557 ' ' GLN . . . . . 0.409 ' HA ' HG12 ' B' 1560 ' ' VAL . 34.2 mt-30 -53.46 -61.31 5.23 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 116.986 -1.483 . . . . 0.0 112.766 172.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.72 -36.16 40.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.037 2.491 . . . . 0.0 114.686 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -73.99 -29.18 61.83 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1560 ' ' VAL . . . . . 0.409 HG12 ' HA ' ' B' 1557 ' ' GLN . 0.8 OUTLIER -107.5 -31.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 117.859 2.541 . . . . 0.0 117.859 -169.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 28.6 m -64.14 -23.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 120.621 1.555 . . . . 0.0 112.865 -169.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.239 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 111.657 168.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 120.103 0.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.96 170.58 54.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.617 1.103 . . . . 0.0 114.394 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.27 -59.16 4.01 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.366 1.46 . . . . 0.0 114.605 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.62 38.58 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.22 165.51 27.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.51 2.324 . . . . 0.0 110.64 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -64.29 -32.26 73.78 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 113.684 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.248 0 C-N-CA 125.123 1.369 . . . . 0.0 . 178.732 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp -135.31 -37.18 0.78 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 114.1 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p -83.01 -172.97 4.43 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 10.5 t -71.5 -18.95 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 128.113 2.565 . . . . 0.0 112.766 -169.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 53.6 m -94.4 -43.18 8.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.311 1.044 . . . . 0.0 112.305 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 31.8 p -75.45 -24.97 57.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1557 ' ' GLN . . . . . 0.434 ' HA ' HG12 ' B' 1560 ' ' VAL . 50.9 mt-30 -56.01 -52.33 73.42 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-N 119.754 1.161 . . . . 0.0 112.619 169.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -54.89 -41.99 73.24 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.721 2.281 . . . . 0.0 113.055 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -65.77 -38.33 88.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.378 0.99 . . . . 0.0 113.491 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1560 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' 1557 ' ' GLN . 5.4 p -88.66 -34.9 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -173.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 17.3 m -138.12 5.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 125.337 1.455 . . . . 0.0 112.959 178.683 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 120.276 0.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 14.91 79.8 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.697 1.039 . . . . 0.0 115.697 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.49 -38.92 2.29 Favored Glycine 0 N--CA 1.476 1.362 0 CA-C-N 119.047 1.424 . . . . 0.0 115.364 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.04 149.73 40.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -58.66 -29.42 66.55 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.869 1.267 . . . . 0.0 114.258 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -148.86 127.15 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.314 1.046 . . . . 0.0 111.588 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.077 0 C-N-CA 125.001 1.321 . . . . 0.0 . 175.504 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp -151.83 165.42 34.55 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.0 2.12 . . . . 0.0 109.794 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.879 HG23 ' HB2' ' B' 1512 ' ' ALA . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.879 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m -59.05 164.53 2.95 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 89.6 t -58.69 -31.9 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.316 1.047 . . . . 0.0 112.774 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 51.7 p -92.6 -30.53 15.57 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.54 1.536 . . . . 0.0 113.587 174.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 65.1 m -62.9 -31.13 72.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.924 0.89 . . . . 0.0 110.461 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.2 -57.6 24.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.254 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -51.15 -35.43 51.86 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.855 2.37 . . . . 0.0 114.478 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -71.85 -48.25 47.31 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.8 p -79.57 -36.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.55 1.54 . . . . 0.0 114.327 -176.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 12.6 t -85.05 57.94 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.125 1.77 . . . . 0.0 107.401 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.361 1.464 . . . . 0.0 112.699 -169.203 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 119.293 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.4 174.0 40.54 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 127.272 2.368 . . . . 0.0 114.998 2.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.9 -16.31 79.42 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 -177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.06 51.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -133.74 152.01 51.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.712 1.205 . . . . 0.0 110.112 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 63.22 17.97 10.62 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 C-N-CA 124.703 1.201 . . . . 0.0 . -178.573 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp 64.67 160.62 0.11 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.075 2.15 . . . . 0.0 112.692 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.849 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.849 ' HB2' HG23 ' B' 1506 ' ' THR 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1529 ' ' TRP . . . . . 0.541 ' CZ2' HH31 ' A' ' 16' ' ' ALY . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p -83.35 176.16 9.32 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -10.47 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 127.115 2.166 . . . . 0.0 113.792 -174.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 63.6 m -101.45 -39.9 7.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.623 1.169 . . . . 0.0 111.497 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 66.6 m -65.72 -33.17 75.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.675 0.79 . . . . 0.0 111.03 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -55.85 -57.64 20.53 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.354 -1.308 . . . . 0.0 113.478 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.77 -36.74 52.73 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.052 2.501 . . . . 0.0 114.731 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -71.71 -43.86 65.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.4 p -87.68 -34.29 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 46.1 t -63.01 127.36 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 110.007 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 123.895 0.878 . . . . 0.0 111.971 -169.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 119.83 -0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.51 9.2 87.23 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.68 -176.31 47.43 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.82 152.29 41.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALY . . . . . 0.541 HH31 ' CZ2' ' B' 1529 ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -70.9 -24.86 62.56 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.84 0.856 . . . . 0.0 113.222 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.78 149.69 52.3 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 0.0 112.474 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 C-N-CA 125.515 1.526 . . . . 0.0 . -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp 60.02 -71.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.512 2.725 . . . . 0.0 114.945 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.925 HG23 ' HB2' ' B' 1512 ' ' ALA . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.925 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p -87.51 -166.77 1.67 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.4 t -72.61 -35.21 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 O-C-N 121.171 -0.955 . . . . 0.0 112.851 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.4 m -79.83 -17.14 54.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.338 1.055 . . . . 0.0 113.636 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 4.5 m -59.68 -35.75 75.1 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.154 -0.966 . . . . 0.0 110.49 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -56.56 -57.98 19.99 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.07 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -65.61 -25.69 54.47 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.211 1.941 . . . . 0.0 113.833 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -71.39 -46.39 60.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.059 1.3 . . . . 0.0 112.81 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.7 p -83.21 -32.89 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.0 m -132.77 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.855 1.662 . . . . 0.0 110.791 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 112.799 -175.242 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.4 0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.8 56.45 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 116.801 1.481 . . . . 0.0 116.801 -170.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.85 -26.04 6.28 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 119.271 1.536 . . . . 0.0 115.608 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.2 141.29 45.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -141.68 143.27 33.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -171.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -66.85 146.63 54.21 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.984 1.314 . . . . 0.0 113.81 -171.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.193 0 C-N-CA 124.67 1.188 . . . . 0.0 . 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.59 -13.71 1.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' 1512 ' ' ALA . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.528 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1523 ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1553 ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.9 p -69.61 -179.67 1.82 Allowed 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 60.3 t -51.94 -36.84 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 128.012 2.525 . . . . 0.0 113.52 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 47.5 m -90.71 -34.31 15.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.462 1.105 . . . . 0.0 112.489 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 57.0 m -65.61 -31.31 72.28 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.986 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.21 -56.67 21.69 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.0 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.24 -36.78 87.32 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.118 2.546 . . . . 0.0 114.28 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -71.56 -36.5 70.95 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 2.5 p -101.02 -28.14 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 -169.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.2 p -150.18 -25.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 125.37 1.468 . . . . 0.0 113.046 -174.408 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.489 0 CA-C-O 120.343 0.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.43 150.0 14.47 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.463 1.03 . . . . 0.0 113.222 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.07 -55.88 2.71 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.609 1.576 . . . . 0.0 114.483 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.29 137.96 29.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -147.75 145.53 28.86 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.955 1.702 . . . . 0.0 110.65 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -148.17 148.28 30.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.889 1.276 . . . . 0.0 111.509 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.2 0 C-N-CA 125.386 1.474 . . . . 0.0 . -177.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.78 -27.74 55.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.395 1.078 . . . . 0.0 111.545 169.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1507 ' ' CYS . . . . . 0.445 ' H ' ' HA ' ' B' 1512 ' ' ALA . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' B' 1507 ' ' CYS . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p -76.4 -176.35 3.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1554 ' ' VAL . . . . . 0.41 HG23 ' H ' ' B' 1554 ' ' VAL . 0.5 OUTLIER -63.96 -10.28 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 127.71 2.404 . . . . 0.0 113.296 -178.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 27.8 t -111.59 -41.23 4.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.644 1.578 . . . . 0.0 111.771 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 64.0 m -64.8 -36.07 83.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.6 -55.21 45.39 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.719 171.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -46.95 -39.03 24.57 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.878 2.385 . . . . 0.0 115.179 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.37 -40.94 57.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -32.77 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.29 119.87 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.95 0.9 . . . . 0.0 110.724 -170.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.083 2.153 . . . . 0.0 112.185 -174.209 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 120.042 -0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.06 -150.64 34.16 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.833 1.206 . . . . 0.0 113.315 -175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.22 10.27 69.08 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 172.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.75 151.39 21.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -74.5 -36.69 63.23 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.688 0.795 . . . . 0.0 113.009 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -69.26 162.82 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.85 1.66 . . . . 0.0 113.052 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.966 0.906 . . . . 0.0 . 174.922 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp -132.88 -39.97 0.95 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.845 1.658 . . . . 0.0 111.315 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p -84.07 -175.53 5.84 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 3.8 t -67.23 -38.25 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.324 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 24.9 m -74.44 -22.02 59.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.243 -0.911 . . . . 0.0 112.674 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.72 78.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.777 0.831 . . . . 0.0 110.285 174.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -54.47 -57.58 18.03 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.9 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.05 -31.09 55.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.372 2.048 . . . . 0.0 114.176 172.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -65.99 -43.03 88.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.806 1.184 . . . . 0.0 112.885 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.9 p -93.0 -28.44 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -151.43 -35.34 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 125.883 1.673 . . . . 0.0 113.175 -175.635 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 120.19 0.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -155.4 40.7 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.807 1.194 . . . . 0.0 113.316 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.04 71.24 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.93 146.82 26.89 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -155.06 146.33 22.87 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.463 1.505 . . . . 0.0 111.121 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -62.5 149.3 43.28 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.334 1.054 . . . . 0.0 113.088 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.775 1.23 . . . . 0.0 . 179.122 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 -36.73 84.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.549 1.14 . . . . 0.0 110.401 169.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.507 HG23 ' HB2' ' B' 1512 ' ' ALA . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p -82.66 -125.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.53 -33.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -170.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.8 p -85.1 -23.1 28.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.859 1.209 . . . . 0.0 113.741 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.6 p -62.33 -39.19 92.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.985 1.314 . . . . 0.0 112.058 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -52.24 -52.04 66.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.346 1.458 . . . . 0.0 113.18 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -75.24 -34.66 3.46 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.786 2.324 . . . . 0.0 114.446 170.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -84.61 -78.98 0.23 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.509 1.049 . . . . 0.0 113.362 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.71 -38.39 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -27.22 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.789 1.236 . . . . 0.0 110.807 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 128.547 2.739 . . . . 0.0 113.852 -177.904 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 120.339 0.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 -118.77 10.26 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.77 62.25 2.01 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.816 1.198 . . . . 0.0 112.901 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.24 150.14 45.16 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.76 165.91 26.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.609 1.564 . . . . 0.0 111.878 173.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.88 -172.54 2.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.531 1.532 . . . . 0.0 110.944 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 C-N-CA 124.538 1.135 . . . . 0.0 . -179.774 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 100.0 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.21 -21.03 0.29 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -174.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.86 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.86 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p -70.66 176.34 4.24 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.2 t -66.82 -39.52 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.823 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 2.7 m -65.13 -25.06 67.6 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.662 1.185 . . . . 0.0 113.214 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 9.6 m -82.52 -18.31 41.96 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.029 0.932 . . . . 0.0 112.25 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1557 ' ' GLN . . . . . 0.442 ' HB2' ' HD3' ' B' 1558 ' ' PRO . 34.9 mm-40 -64.65 -48.01 74.63 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.075 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1558 ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' B' 1557 ' ' GLN . 46.4 Cg_exo -69.69 -37.4 9.4 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 122.417 2.078 . . . . 0.0 114.391 169.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -79.1 -81.68 0.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 113.27 -174.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.7 p -80.05 -39.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -170.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.8 t -73.52 -26.48 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.728 0.811 . . . . 0.0 110.456 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 C--O 1.238 0.469 0 C-N-CA 128.377 2.671 . . . . 0.0 112.816 175.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 119.443 -0.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.35 176.73 47.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 127.151 2.31 . . . . 0.0 114.738 2.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.23 88.28 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.44 151.97 50.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -147.75 146.73 29.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.811 1.245 . . . . 0.0 111.476 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -66.36 153.4 42.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.944 0.898 . . . . 0.0 112.435 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 124.845 1.258 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.67 1.17 52.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.014 1.726 . . . . 0.0 113.555 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1506 ' ' THR . . . . . 0.892 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1512 ' ' ALA . . . . . 0.892 ' HB2' HG23 ' B' 1506 ' ' THR 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p -86.1 -136.86 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.0 t -110.75 -40.75 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 20.9 t -66.83 -23.62 66.06 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 122.625 1.202 . . . . 0.0 113.174 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.7 p -76.58 -24.78 53.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.67 1.588 . . . . 0.0 113.234 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -56.03 -47.11 99.47 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-O 117.787 -1.101 . . . . 0.0 112.724 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -79.03 -40.81 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.054 1.836 . . . . 0.0 114.079 169.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -94.2 -24.83 17.34 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 118.364 2.728 . . . . 0.0 118.364 -168.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.4 p -154.06 75.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.674 1.579 . . . . 0.0 113.326 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 26.8 m -70.39 144.78 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.764 -1.21 . . . . 0.0 110.321 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.387 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 120.16 0.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.82 -20.11 63.89 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.292 0.948 . . . . 0.0 115.077 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 8.31 40.46 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.094 1.33 . . . . 0.0 115.061 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.97 158.04 42.48 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -70.45 -19.31 62.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -151.69 155.57 38.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.465 1.506 . . . . 0.0 111.312 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.03 0 C-N-CA 125.306 1.442 . . . . 0.0 . 179.754 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.832 HG23 ' HB2' ' B' 1512 ' ' ALA . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.832 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.5 p . . . . . 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' 1512 ' ' ALA . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.846 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.923 0.729 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 118.253 -0.879 . . . . 0.0 113.31 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.854 HG23 ' HB2' ' B' 1512 ' ' ALA . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.854 ' HB2' HG23 ' B' 1506 ' ' THR 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.19 0.519 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.471 0.603 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.855 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.855 ' HB2' HG23 ' B' 1506 ' ' THR . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 13.8 p . . . . . 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 CA-C-O 119.481 -0.622 . . . . 0.0 114.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.362 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.879 HG23 ' HB2' ' B' 1512 ' ' ALA . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.879 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 121.514 0.673 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.849 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.849 ' HB2' HG23 ' B' 1506 ' ' THR 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.925 HG23 ' HB2' ' B' 1512 ' ' ALA . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.925 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 N-CA-C 115.608 1.003 . . . . 0.0 115.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' 1512 ' ' ALA . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.528 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.9 p . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 N-CA-C 114.483 0.553 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . 0.445 ' H ' ' HA ' ' B' 1512 ' ' ALA . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' B' 1507 ' ' CYS . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.987 0.422 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.507 HG23 ' HB2' ' B' 1512 ' ' ALA . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.338 0 CA-C-O 119.728 -0.484 . . . . 0.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.86 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.86 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1506 ' ' THR . . . . . 0.892 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1512 ' ' ALA . . . . . 0.892 ' HB2' HG23 ' B' 1506 ' ' THR 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.209 0 CA-C-O 118.687 -1.063 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . 0.439 ' N ' HH11 ' B' 1528 ' ' ARG . 23.3 t . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 51.9 tp -135.25 -43.16 0.71 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.602 1.561 . . . . 0.0 113.755 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -79.83 33.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.931 1.292 . . . . 0.0 113.067 -169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.832 HG23 ' HB2' ' B' 1512 ' ' ALA . 3.5 m -166.51 133.73 2.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.256 2.622 . . . . 0.0 106.619 170.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 43.0 t -109.15 99.22 34.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 124.128 0.971 . . . . 0.0 109.422 169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -58.96 -17.12 35.75 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.429 2.753 . . . . 0.0 114.768 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mt -75.73 -41.1 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 118.655 0.661 . . . . 0.0 111.055 175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.9 m -85.27 -11.33 55.04 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.02 1.328 . . . . 0.0 113.182 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 59.4 m-70 66.28 41.07 3.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.303 2.241 . . . . 0.0 113.67 -169.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.832 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.44 19.13 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.518 0 N-CA-C 121.215 3.783 . . . . 0.0 121.215 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -76.62 58.78 6.02 Favored 'Trans proline' 0 CA--C 1.548 1.179 0 C-N-CA 123.637 2.891 . . . . 0.0 111.408 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 67.1 t80 -64.68 137.36 57.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.529 1.132 . . . . 0.0 113.377 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 26.2 m -142.57 148.09 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.523 1.929 . . . . 0.0 110.606 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -80.54 -12.89 59.47 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.29 -38.18 84.63 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.991 -1.068 . . . . 0.0 113.552 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -82.7 127.19 33.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.738 0.815 . . . . 0.0 111.634 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.76 156.0 39.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.457 0.703 . . . . 0.0 112.598 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.55 162.71 25.05 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.9 tt -139.82 155.62 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 128.035 2.534 . . . . 0.0 109.167 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -131.48 154.45 48.72 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 42.8 t -65.94 136.06 55.59 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.481 0.713 . . . . 0.0 112.222 170.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -64.76 -25.93 68.14 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.108 0.963 . . . . 0.0 113.47 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -94.58 -47.24 6.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.85 1.26 . . . . 0.0 112.079 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 59.4 m -93.69 -22.84 18.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.544 1.138 . . . . 0.0 113.618 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.51 -1.87 0.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.23 2.212 . . . . 0.0 116.026 -171.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . 0.439 HH11 ' N ' ' B' 1503 ' ' SER . 31.8 mmt180 -60.15 133.58 56.23 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 110.418 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.7 m95 -90.63 148.19 22.81 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.813 1.245 . . . . 0.0 112.797 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -148.84 156.39 42.26 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.261 1.824 . . . . 0.0 109.758 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.9 m80 -67.82 159.73 29.75 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.44 -0.788 . . . . 0.0 111.73 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.25 98.0 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.439 -0.788 . . . . 0.0 112.341 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.13 -37.36 86.98 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.11 0.862 . . . . 0.0 114.835 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.1 p -73.17 -2.55 22.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.653 1.226 . . . . 0.0 113.948 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -118.96 14.33 13.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.395 1.878 . . . . 0.0 112.176 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.7 m 58.07 19.37 5.94 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.553 1.941 . . . . 0.0 115.057 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.62 127.67 32.44 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.092 . . . . 0.0 109.817 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.0 -34.2 44.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -169.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 27.8 p -145.36 169.9 17.39 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.998 0.919 . . . . 0.0 112.832 -169.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -60.64 -36.4 78.56 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.562 -0.711 . . . . 0.0 112.078 170.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.63 -37.19 76.72 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.135 0.574 . . . . 0.0 112.167 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.28 -37.76 83.95 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.6 0.76 . . . . 0.0 111.106 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.94 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.839 1.255 . . . . 0.0 112.247 169.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.637 1.108 . . . . 0.0 111.458 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.11 89.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.005 0.922 . . . . 0.0 111.878 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.24 81.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.418 -0.801 . . . . 0.0 112.451 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.23 78.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.549 1.14 . . . . 0.0 112.143 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.85 -28.19 69.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.993 0.917 . . . . 0.0 112.41 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.05 -8.45 54.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.783 1.233 . . . . 0.0 113.576 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.79 79.38 0.9 Allowed Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.506 1.527 . . . . 0.0 111.466 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 20.2 t80 -71.14 155.31 40.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -136.91 139.72 41.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.649 1.98 . . . . 0.0 111.48 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.5 p -72.64 -176.65 2.02 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 122.933 1.349 . . . . 0.0 113.125 171.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -42.35 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.339 1.055 . . . . 0.0 112.71 -171.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 26.1 m -73.1 -23.36 60.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.742 0.817 . . . . 0.0 113.043 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 46.3 m -80.45 -8.14 59.43 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.297 -0.877 . . . . 0.0 111.995 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.85 -56.13 27.64 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.011 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.02 -38.44 9.41 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 121.568 1.596 . . . . 0.0 113.074 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -77.68 -42.74 33.48 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 -170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.8 p -151.8 33.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -169.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.8 p -58.68 124.16 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 119.938 -1.726 . . . . 0.0 113.355 -170.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.591 1.956 . . . . 0.0 113.06 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 120.159 0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.72 14.39 75.77 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.619 1.008 . . . . 0.0 115.619 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.91 -39.96 2.26 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.963 1.381 . . . . 0.0 115.561 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 146.34 51.84 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.285 1.834 . . . . 0.0 112.042 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -149.4 127.88 12.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.685 1.194 . . . . 0.0 110.809 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -76.36 156.99 32.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.087 1.355 . . . . 0.0 112.832 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 . 178.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 34.0 tp -143.98 -48.88 0.29 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.147 1.379 . . . . 0.0 113.579 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 30.9 m -78.73 22.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.846 HG23 ' HB2' ' B' 1512 ' ' ALA . 11.7 m -151.3 131.4 13.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 127.345 2.258 . . . . 0.0 106.444 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.7 t -107.74 99.15 28.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 124.379 1.072 . . . . 0.0 110.059 169.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -56.16 -20.91 33.05 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.392 2.728 . . . . 0.0 114.999 173.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.3 mt -73.24 -41.4 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.327 0.512 . . . . 0.0 110.703 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 87.8 m -88.3 -8.09 55.71 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 125.41 1.484 . . . . 0.0 113.478 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.2 m80 63.86 44.31 4.93 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.354 2.262 . . . . 0.0 113.96 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.846 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.74 21.56 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.538 0 N-CA-C 121.277 3.806 . . . . 0.0 121.277 169.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.35 59.27 6.59 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 123.551 2.834 . . . . 0.0 111.481 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.41 139.1 58.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.964 -1.085 . . . . 0.0 112.498 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.0 p -157.33 148.71 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.383 1.473 . . . . 0.0 110.553 -173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -80.44 -3.58 50.38 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.35 -46.73 72.51 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 31.2 t0 -88.64 154.06 20.62 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.49 157.51 33.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.72 0.772 . . . . 0.0 109.486 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.11 152.21 44.69 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.858 1.263 . . . . 0.0 111.866 -172.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 14.6 tt -119.03 135.97 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 127.121 2.169 . . . . 0.0 110.032 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -96.29 136.74 36.37 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.409 1.483 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 38.2 t -70.66 112.04 6.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -76.7 16.71 0.48 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -119.61 -49.04 2.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.805 1.242 . . . . 0.0 112.655 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.41 8.31 9.03 Favored 'General case' 0 CA--C 1.561 1.374 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.272 59.6 mt-10 60.62 28.3 18.0 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.75 124.42 33.58 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.818 0.847 . . . . 0.0 108.948 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -82.74 151.2 26.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.234 1.014 . . . . 0.0 112.492 170.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.1 ptp -152.03 165.04 35.91 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.224 1.41 . . . . 0.0 110.83 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 15.7 m80 -66.69 156.33 35.58 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.899 -1.125 . . . . 0.0 112.301 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.65 85.63 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 121.296 -0.877 . . . . 0.0 112.735 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -61.28 -41.32 99.47 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 114.287 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -75.86 7.36 4.01 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.435 1.118 . . . . 0.0 114.003 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -126.94 16.77 7.34 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.211 2.204 . . . . 0.0 112.294 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.2 m 56.79 33.19 22.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.755 1.622 . . . . 0.0 114.784 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 2.0 pp -128.97 161.66 29.39 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 110.864 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -136.39 -5.63 2.04 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -168.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.5 p -135.78 161.34 35.86 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.291 1.405 . . . . 0.0 112.786 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.58 -28.02 69.35 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.281 -0.887 . . . . 0.0 111.974 170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.71 -37.24 79.35 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.495 -0.753 . . . . 0.0 112.249 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.75 -39.46 94.22 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.251 -0.905 . . . . 0.0 111.697 170.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 93.9 t -65.86 -41.88 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 118.34 0.518 . . . . 0.0 112.072 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.44 -42.92 97.11 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.069 0.85 . . . . 0.0 111.294 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -46.36 87.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.165 0.986 . . . . 0.0 111.917 170.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.96 92.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.248 -0.908 . . . . 0.0 112.029 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.71 95.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.179 -0.951 . . . . 0.0 112.223 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.8 t0 -65.99 -30.33 70.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.254 0.622 . . . . 0.0 112.469 175.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.32 0.06 30.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.478 1.511 . . . . 0.0 113.959 173.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.31 32.0 32.61 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 74.9 t80 -46.31 119.69 2.47 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -109.81 151.27 27.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.431 2.692 . . . . 0.0 111.613 169.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.4 p -93.15 -128.31 0.11 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.728 0.811 . . . . 0.0 111.855 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 56.0 t -111.19 -45.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 128.087 2.555 . . . . 0.0 112.031 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 50.6 m -69.59 -19.57 63.66 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -45.47 89.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.086 1.354 . . . . 0.0 110.579 174.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.88 -49.38 89.75 Favored Pre-proline 0 CA--C 1.553 1.083 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.03 -34.71 2.83 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.49 2.127 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -97.85 -56.55 2.47 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.54 -27.26 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -171.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 74.2 t -60.29 122.05 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.582 0.753 . . . . 0.0 111.237 -171.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 126.832 2.053 . . . . 0.0 112.877 -176.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.602 0 CA-C-O 120.526 0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.47 -132.05 47.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.268 0.461 . . . . 0.0 112.382 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 42.77 1.45 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.457 1.503 . . . . 0.0 114.923 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.66 22.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.542 1.537 . . . . 0.0 113.138 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -147.85 132.43 17.77 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.013 0.925 . . . . 0.0 110.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.08 158.55 23.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.719 1.208 . . . . 0.0 112.892 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.26 0 C-N-CA 124.633 1.173 . . . . 0.0 . 179.302 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.287 52.8 tp 62.06 -77.46 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.335 2.254 . . . . 0.0 113.31 -176.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 33.9 m -74.07 4.21 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.48 1.491 . . . . 0.0 113.57 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.854 HG23 ' HB2' ' B' 1512 ' ' ALA . 6.5 m -146.17 130.59 17.71 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 128.364 2.666 . . . . 0.0 105.735 169.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 50.3 t -106.44 98.75 21.06 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.545 1.138 . . . . 0.0 108.147 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -55.81 -21.01 30.9 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 123.453 2.769 . . . . 0.0 114.628 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.5 mt -73.36 -37.2 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.035 0.534 . . . . 0.0 111.051 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 97.8 m -98.69 -2.42 38.31 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.24 1.416 . . . . 0.0 113.883 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 7.5 m170 65.25 45.35 2.96 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.667 1.987 . . . . 0.0 113.497 -171.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.854 ' HB2' HG23 ' B' 1506 ' ' THR 0.268 . . 70.07 20.98 0.01 OUTLIER Pre-proline 0 CA--C 1.561 1.387 0 N-CA-C 121.725 3.972 . . . . 0.0 121.725 169.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -68.61 139.6 44.91 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 CA-C-N 123.333 2.226 . . . . 0.0 109.508 169.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 35.6 t80 -151.03 134.94 16.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.0 m -147.72 146.84 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.337 2.255 . . . . 0.0 109.818 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.79 -29.89 68.35 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.37 -18.85 61.12 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.54 124.04 28.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.424 1.011 . . . . 0.0 111.749 175.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.87 156.93 35.89 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.6 0.714 . . . . 0.0 112.515 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 1.9 mp -130.86 160.92 33.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.496 1.518 . . . . 0.0 113.769 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.5 tt -134.62 149.08 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 126.973 2.109 . . . . 0.0 109.128 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -116.32 151.88 34.99 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.944 0.878 . . . . 0.0 112.516 169.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.73 125.09 22.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.975 169.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 34.4 mmm-85 -72.79 1.72 8.02 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.349 -0.845 . . . . 0.0 113.169 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.94 -32.87 4.94 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.445 1.498 . . . . 0.0 113.261 -172.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.8 p -131.07 5.15 4.48 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 63.69 -2.07 0.55 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 118.206 2.669 . . . . 0.0 118.206 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -61.72 134.96 57.4 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 120.015 1.28 . . . . 0.0 110.938 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 96.6 m95 -93.07 148.45 21.99 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.828 1.651 . . . . 0.0 113.449 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.7 ptp -152.09 163.7 38.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.279 1.832 . . . . 0.0 110.226 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 10.6 m80 -61.8 168.11 3.26 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.256 -0.903 . . . . 0.0 112.061 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -73.86 -23.14 59.57 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.423 -1.423 . . . . 0.0 113.559 169.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -79.97 -22.58 63.31 Favored Glycine 0 CA--C 1.538 1.495 0 N-CA-C 115.687 1.035 . . . . 0.0 115.687 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -49.99 72.67 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.096 1.358 . . . . 0.0 111.467 -175.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -98.89 21.32 11.72 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.75 1.62 . . . . 0.0 113.009 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 6.7 t 58.3 31.52 20.96 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.039 1.735 . . . . 0.0 115.021 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.57 -54.59 7.19 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.336 -0.852 . . . . 0.0 109.339 171.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.2 t80 64.89 -52.71 0.32 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 130.112 3.365 . . . . 0.0 115.401 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 37.4 p -73.86 156.6 37.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.935 0.894 . . . . 0.0 111.407 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.99 -34.29 77.67 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.625 -0.672 . . . . 0.0 110.759 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -63.78 -42.61 97.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.118 0.967 . . . . 0.0 113.37 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -73.64 -27.76 61.43 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.366 1.439 . . . . 0.0 111.453 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 8.3 t -68.94 -48.01 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 118.889 0.768 . . . . 0.0 111.939 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -57.62 -42.5 83.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.993 0.815 . . . . 0.0 111.751 175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.89 56.42 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 122.824 0.45 . . . . 0.0 110.882 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.16 93.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.874 0.761 . . . . 0.0 112.159 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.77 94.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.732 0.813 . . . . 0.0 112.265 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.36 -30.56 70.39 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.184 0.902 . . . . 0.0 112.37 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.03 4.15 15.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.623 1.569 . . . . 0.0 113.853 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.16 37.13 19.32 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.39 137.35 2.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.219 1.808 . . . . 0.0 114.422 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.2 140.26 53.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.573 1.949 . . . . 0.0 112.433 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 8.6 p -70.41 177.65 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 123.338 1.542 . . . . 0.0 113.622 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -34.93 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 114.319 -1.31 . . . . 0.0 112.653 -175.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 22.1 t -76.15 -28.54 57.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.404 1.082 . . . . 0.0 113.014 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 13.5 m -74.42 -22.64 59.04 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.824 -1.172 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -52.24 -55.74 28.63 Favored Pre-proline 0 CA--C 1.552 1.041 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.349 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.63 -46.33 0.9 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.0 1.8 . . . . 0.0 113.661 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.91 -39.75 61.27 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.03 -24.98 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -150.98 -34.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.072 0 C-N-CA 125.699 1.6 . . . . 0.0 113.221 -175.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 120.075 -0.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.66 -161.85 52.53 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.615 1.102 . . . . 0.0 113.997 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.48 9.77 86.75 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.91 151.37 52.05 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.661 1.584 . . . . 0.0 112.101 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -151.75 -44.63 0.11 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 59.52 176.34 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.108 1.763 . . . . 0.0 114.277 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.296 0 C-N-CA 124.944 1.298 . . . . 0.0 . -178.755 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.27 -36.84 19.11 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.067 0.947 . . . . 0.0 110.592 173.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 86.1 t -140.86 117.57 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 128.345 2.658 . . . . 0.0 105.832 169.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 91.4 m -76.68 23.98 0.16 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.294 1.838 . . . . 0.0 112.555 -169.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 5.3 t 1.6 81.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 128.862 2.865 . . . . 0.0 115.98 -169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.55 -23.01 54.25 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.55 2.834 . . . . 0.0 114.973 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.2 mt -61.52 -36.54 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.878 0.871 . . . . 0.0 110.863 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 74.9 m -106.38 -4.08 20.36 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 126.55 1.94 . . . . 0.0 113.192 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.367 21.7 p-80 57.28 55.11 6.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.346 2.658 . . . . 0.0 114.479 -169.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 65.29 28.43 0.05 OUTLIER Pre-proline 0 CA--C 1.564 1.497 0 N-CA-C 121.216 3.784 . . . . 0.0 121.216 169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 71.11 6.48 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.292 2.661 . . . . 0.0 111.415 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.7 t80 -77.87 56.48 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.317 -1.489 . . . . 0.0 112.13 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 92.4 t -74.65 123.12 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.651 1.58 . . . . 0.0 110.044 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -67.41 -23.77 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -78.69 -25.47 44.77 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.187 0.995 . . . . 0.0 113.407 173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -76.45 95.06 3.77 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.198 -0.939 . . . . 0.0 108.925 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.29 142.01 33.5 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -169.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.6 mp -114.43 150.93 33.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.654 1.182 . . . . 0.0 112.448 -173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 19.7 tt -111.02 157.69 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 127.838 2.455 . . . . 0.0 108.106 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.94 154.78 48.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 171.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.4 t -63.15 122.95 17.37 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -71.4 4.19 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.225 1.01 . . . . 0.0 113.251 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -122.87 -29.6 3.94 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.384 1.874 . . . . 0.0 112.901 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 62.6 m -111.05 -24.17 10.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.995 1.718 . . . . 0.0 113.613 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 62.43 13.14 5.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.781 2.433 . . . . 0.0 116.033 -173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.37 138.56 49.28 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.976 0.91 . . . . 0.0 109.267 169.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.85 151.48 20.18 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.4 1.48 . . . . 0.0 114.126 -174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -144.86 154.9 43.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.678 2.391 . . . . 0.0 109.835 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -65.72 154.03 40.08 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.856 -1.152 . . . . 0.0 110.659 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.04 78.74 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.969 -1.082 . . . . 0.0 113.158 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -71.65 -41.71 56.34 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.175 0.893 . . . . 0.0 114.802 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.0 p -69.0 -25.09 64.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.9 1.35 . . . . 0.0 113.393 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -94.08 11.05 31.24 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.433 1.093 . . . . 0.0 113.579 169.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.6 m 64.49 21.11 12.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.56 135.74 37.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.455 1.025 . . . . 0.0 110.671 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -73.68 -34.81 65.07 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 14.6 t -158.75 173.82 15.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.797 1.239 . . . . 0.0 111.897 -173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.49 -38.03 76.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.336 1.454 . . . . 0.0 112.678 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -66.84 -31.28 71.8 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.593 -0.692 . . . . 0.0 112.479 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.95 -33.61 63.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.188 -0.945 . . . . 0.0 111.249 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 42.0 t -66.49 -43.14 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.07 0.948 . . . . 0.0 111.174 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.59 -36.47 80.79 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.704 -0.623 . . . . 0.0 111.517 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -46.3 88.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.561 0.745 . . . . 0.0 110.666 172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.88 89.1 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.639 -0.663 . . . . 0.0 112.299 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.889 0.876 . . . . 0.0 112.435 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.28 -30.09 70.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.773 0.829 . . . . 0.0 112.239 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -80.34 -2.77 46.82 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.151 1.38 . . . . 0.0 113.863 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.65 43.41 23.76 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.243 0.925 . . . . 0.0 114.989 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -42.23 134.41 2.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.218 1.807 . . . . 0.0 114.2 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -125.24 143.84 50.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.963 2.105 . . . . 0.0 112.678 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 10.7 p -90.43 -135.77 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.871 0.868 . . . . 0.0 112.344 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 1.8 t -114.91 -33.66 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.936 1.294 . . . . 0.0 113.12 -170.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 40.1 m -74.47 -25.05 59.15 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.78 99.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.109 1.364 . . . . 0.0 111.41 175.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -52.82 -52.49 64.2 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.136 1.374 . . . . 0.0 112.916 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.55 -30.35 5.12 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.864 2.376 . . . . 0.0 114.969 173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -98.17 -76.27 0.53 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.3 p -73.04 -29.5 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -169.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 33.7 m -109.5 17.08 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.315 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 127.479 2.312 . . . . 0.0 112.927 178.151 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 120.282 0.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 -104.33 0.81 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.538 1.066 . . . . 0.0 112.809 176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.53 -9.55 78.24 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.34 153.12 48.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 112.762 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . 0.444 ' HE2' HH31 ' A' ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -151.07 64.84 0.9 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.603 1.961 . . . . 0.0 109.524 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -69.17 -25.72 64.49 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.142 0 C-N-CA 124.491 1.116 . . . . 0.0 . 179.092 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.46 -63.77 0.42 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.564 1.946 . . . . 0.0 111.324 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 4.0 p -77.69 15.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.855 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.2 m -146.87 127.31 14.04 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.827 1.651 . . . . 0.0 107.639 172.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 44.6 t -107.84 99.27 29.23 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.449 1.1 . . . . 0.0 108.669 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -57.49 -18.58 32.57 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.513 2.809 . . . . 0.0 114.589 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.23 -36.94 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.19 0.45 . . . . 0.0 110.886 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 94.7 m -94.6 -8.37 38.29 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 125.749 1.62 . . . . 0.0 113.796 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 22.8 m80 64.31 44.56 4.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.32 2.248 . . . . 0.0 113.958 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.855 ' HB2' HG23 ' B' 1506 ' ' THR . . . 66.63 26.06 0.03 OUTLIER Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 120.93 3.678 . . . . 0.0 120.93 169.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.64 -31.84 25.45 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 CA-C-N 123.167 2.167 . . . . 0.0 113.409 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 20.7 t80 48.44 58.45 5.19 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.729 2.012 . . . . 0.0 114.782 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 82.9 t -71.54 114.09 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.523 -0.735 . . . . 0.0 109.519 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -65.47 -23.07 66.82 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.89 -23.28 65.1 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.946 0.899 . . . . 0.0 113.309 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.91 135.3 49.36 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.196 -0.94 . . . . 0.0 112.307 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 124.66 23.43 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.547 1.139 . . . . 0.0 110.736 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.1 mp -102.66 148.33 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.337 1.055 . . . . 0.0 113.374 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 2.4 tp -134.26 139.35 48.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 128.148 2.579 . . . . 0.0 108.847 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -107.65 137.01 46.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.859 1.263 . . . . 0.0 113.292 -170.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 44.0 t -70.8 131.42 43.79 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 121.833 -0.542 . . . . 0.0 111.58 171.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -65.66 -26.57 67.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -92.15 -43.3 9.43 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 112.479 -176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 72.9 m -93.36 -25.27 17.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.914 1.285 . . . . 0.0 114.226 -174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 64.66 10.04 5.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.345 1.858 . . . . 0.0 113.769 -168.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -81.23 150.78 28.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.308 1.443 . . . . 0.0 111.527 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 78.5 m95 -109.98 134.01 52.58 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.804 1.241 . . . . 0.0 113.916 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 3.0 mpp? -130.16 152.88 49.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.169 2.188 . . . . 0.0 109.115 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -70.06 151.3 45.66 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.694 -1.254 . . . . 0.0 111.539 170.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.82 95.09 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.263 -0.898 . . . . 0.0 112.231 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.23 90.62 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 123.933 0.778 . . . . 0.0 114.51 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 13.2 p -67.2 -35.24 79.2 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.151 0.975 . . . . 0.0 112.819 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.47 5.26 9.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.836 1.255 . . . . 0.0 114.168 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 36.5 m 57.17 22.37 7.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.544 1.938 . . . . 0.0 114.724 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 21.5 tp -80.34 121.37 25.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.501 1.92 . . . . 0.0 109.628 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.36 90.83 3.23 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 5.0 p 61.16 -172.8 0.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.78 1.632 . . . . 0.0 114.011 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.02 -21.87 66.69 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.734 -1.229 . . . . 0.0 113.472 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.93 -55.32 27.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.084 0.954 . . . . 0.0 112.159 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 21.2 t0 -69.66 -25.58 63.98 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.338 -0.851 . . . . 0.0 111.84 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 10.7 t -65.17 -46.81 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 120.653 -1.279 . . . . 0.0 111.13 169.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.4 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.369 0.986 . . . . 0.0 111.436 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -58.03 -52.33 65.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.111 0.564 . . . . 0.0 111.133 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.0 63.59 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.41 78.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.175 -0.953 . . . . 0.0 112.165 171.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 29.1 t0 -70.3 -36.15 74.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.745 0.818 . . . . 0.0 112.208 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -81.34 -22.38 38.49 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 87.17 109.74 0.9 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.012 1.768 . . . . 0.0 112.534 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 77.5 t80 -85.34 156.43 20.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.635 1.174 . . . . 0.0 112.641 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -137.91 135.88 36.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.305 1.842 . . . . 0.0 111.466 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 13.8 p -68.91 -178.63 1.26 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.375 1.56 . . . . 0.0 114.368 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 58.9 t -52.33 -35.75 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 127.423 2.289 . . . . 0.0 113.556 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 49.5 m -92.2 -35.87 13.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.994 0.917 . . . . 0.0 112.617 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 56.5 m -63.39 -31.01 72.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 122.73 0.412 . . . . 0.0 111.113 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . 0.409 ' HA ' HG12 ' B' 1560 ' ' VAL . 34.2 mt-30 -53.46 -61.31 5.23 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-O 116.986 -1.483 . . . . 0.0 112.766 172.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.72 -36.16 40.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.037 2.491 . . . . 0.0 114.686 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -73.99 -29.18 61.83 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . 0.409 HG12 ' HA ' ' B' 1557 ' ' GLN . 0.8 OUTLIER -107.5 -31.57 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 117.859 2.541 . . . . 0.0 117.859 -169.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 28.6 m -64.14 -23.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 120.621 1.555 . . . . 0.0 112.865 -169.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.239 0.539 0 C-N-CA 125.482 1.513 . . . . 0.0 111.657 168.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 120.103 0.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.96 170.58 54.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.617 1.103 . . . . 0.0 114.394 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.27 -59.16 4.01 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.366 1.46 . . . . 0.0 114.605 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.64 139.62 38.58 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.456 1.502 . . . . 0.0 111.783 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.22 165.51 27.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.51 2.324 . . . . 0.0 110.64 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -64.29 -32.26 73.78 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.187 1.395 . . . . 0.0 113.684 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.248 0 C-N-CA 125.123 1.369 . . . . 0.0 . 178.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.6 mp -135.31 -37.18 0.78 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 114.1 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.1 t -77.19 17.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.774 1.23 . . . . 0.0 114.186 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 26.4 m -145.71 117.65 8.25 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 46.7 t -115.26 92.34 31.54 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.87 -15.04 15.52 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.642 2.895 . . . . 0.0 115.135 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.59 -34.04 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 24.1 p -106.48 0.93 25.1 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.516 1.526 . . . . 0.0 113.415 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 21.0 m80 64.7 45.67 3.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.764 2.026 . . . . 0.0 113.559 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . . . . . . . . 0.258 . . 76.97 6.45 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.35 1 N-CA-C 123.204 4.52 . . . . 0.0 123.204 169.343 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.48 111.48 2.33 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 CA-C-N 124.702 2.715 . . . . 0.0 109.097 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 33.3 t80 -73.82 -29.49 62.18 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 36.8 t 54.64 102.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.88 2.072 . . . . 0.0 114.417 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.02 153.11 18.37 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.398 -0.814 . . . . 0.0 111.926 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 67.36 -16.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.909 2.483 . . . . 0.0 116.605 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.31 152.63 43.06 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.28 1.4 . . . . 0.0 113.296 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.9 tp -87.09 137.91 31.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.506 1.522 . . . . 0.0 111.986 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.0 mp -125.62 161.64 26.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.411 1.484 . . . . 0.0 113.145 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 15.6 tt -138.35 150.46 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.611 2.364 . . . . 0.0 108.648 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -127.39 152.11 47.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.059 0.944 . . . . 0.0 112.457 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 42.2 t -59.16 135.34 57.61 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.87 170.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -64.19 -21.42 66.56 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.9 t60 -101.65 -46.99 4.78 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.891 1.276 . . . . 0.0 112.136 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 56.3 m -92.48 -23.2 19.21 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.857 1.263 . . . . 0.0 113.466 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 62.43 -1.65 0.41 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.44 2.296 . . . . 0.0 116.301 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.65 135.33 55.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.292 0.951 . . . . 0.0 110.512 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -92.1 152.82 19.74 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.397 1.479 . . . . 0.0 113.853 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 6.1 ptp -157.3 160.54 38.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.013 2.125 . . . . 0.0 109.918 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.67 146.44 48.26 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.004 -1.06 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.775 -0.578 . . . . 0.0 112.5 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.17 92.77 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.77 0.7 . . . . 0.0 113.499 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 63.7 m -56.22 -41.79 76.21 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.675 1.19 . . . . 0.0 111.671 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.16 10.33 17.17 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.188 1.395 . . . . 0.0 114.544 175.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 5.4 t 65.33 18.69 11.45 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.474 1.91 . . . . 0.0 115.658 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.95 107.63 19.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -79.08 -14.26 59.26 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -172.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 34.7 p -142.45 166.56 24.34 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.405 1.482 . . . . 0.0 112.094 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.74 -31.13 72.01 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.326 -0.859 . . . . 0.0 111.805 170.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.72 -38.56 80.3 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.394 -0.816 . . . . 0.0 112.13 173.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.83 -38.28 90.44 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.766 -1.209 . . . . 0.0 111.884 171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 48.3 t -64.54 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.328 -0.858 . . . . 0.0 111.903 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.33 -36.23 83.45 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.171 -0.955 . . . . 0.0 111.764 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -43.77 95.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.627 0.771 . . . . 0.0 110.605 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.28 99.04 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.58 84.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.97 0.908 . . . . 0.0 113.203 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.64 -30.01 71.02 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.357 -0.839 . . . . 0.0 111.943 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.84 5.65 18.16 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.61 1.564 . . . . 0.0 112.817 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 85.8 -41.21 3.06 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 127.298 2.38 . . . . 0.0 114.807 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 48.2 t80 54.61 75.35 0.3 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.233 1.813 . . . . 0.0 114.216 -175.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -92.68 129.28 38.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.379 1.072 . . . . 0.0 108.821 168.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 4.7 p -83.01 -172.97 4.43 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 124.597 2.141 . . . . 0.0 116.233 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 10.5 t -71.5 -18.95 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 128.113 2.565 . . . . 0.0 112.766 -169.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 53.6 m -94.4 -43.18 8.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.311 1.044 . . . . 0.0 112.305 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 31.8 p -75.45 -24.97 57.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . 0.434 ' HA ' HG12 ' B' 1560 ' ' VAL . 50.9 mt-30 -56.01 -52.33 73.42 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-N 119.754 1.161 . . . . 0.0 112.619 169.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -54.89 -41.99 73.24 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.721 2.281 . . . . 0.0 113.055 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -65.77 -38.33 88.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.378 0.99 . . . . 0.0 113.491 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' 1557 ' ' GLN . 5.4 p -88.66 -34.9 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -173.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 17.3 m -138.12 5.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 125.337 1.455 . . . . 0.0 112.959 178.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 120.276 0.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 14.91 79.8 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.697 1.039 . . . . 0.0 115.697 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.49 -38.92 2.29 Favored Glycine 0 N--CA 1.476 1.362 0 CA-C-N 119.047 1.424 . . . . 0.0 115.364 173.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.04 149.73 40.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.649 1.58 . . . . 0.0 112.693 -172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -58.66 -29.42 66.55 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.869 1.267 . . . . 0.0 114.258 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -148.86 127.15 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.314 1.046 . . . . 0.0 111.588 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.077 0 C-N-CA 125.001 1.321 . . . . 0.0 . 175.504 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.9 tp -151.83 165.42 34.55 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.0 2.12 . . . . 0.0 109.794 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 19.4 t 64.85 -9.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 127.15 2.18 . . . . 0.0 115.202 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.879 HG23 ' HB2' ' B' 1512 ' ' ALA . 28.8 m -148.49 129.49 14.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 127.403 2.281 . . . . 0.0 107.234 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 41.8 t -108.04 99.78 32.84 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.731 1.212 . . . . 0.0 108.963 168.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.38 -18.44 24.79 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 C-N-CA 123.35 2.7 . . . . 0.0 114.673 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.16 -38.42 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 122.986 0.514 . . . . 0.0 110.749 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 89.2 m -94.02 -5.69 46.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 125.614 1.566 . . . . 0.0 113.715 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 55.8 m-70 63.95 43.51 5.23 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.127 2.171 . . . . 0.0 114.071 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.879 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.12 23.5 0.02 OUTLIER Pre-proline 0 CA--C 1.564 1.491 0 N-CA-C 121.443 3.868 . . . . 0.0 121.443 169.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.16 -22.65 34.51 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 CA-C-N 123.328 2.224 . . . . 0.0 112.355 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . 0.277 8.6 t80 58.24 -170.67 0.11 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.846 2.459 . . . . 0.0 114.559 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 8.9 p -59.56 140.15 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -169.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -136.98 74.98 1.51 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.037 1.735 . . . . 0.0 108.651 169.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 59.47 8.4 1.2 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.958 2.103 . . . . 0.0 116.215 -171.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 19.5 t0 -76.11 162.28 28.14 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.007 1.323 . . . . 0.0 114.437 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.52 148.84 36.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.027 1.331 . . . . 0.0 110.624 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.49 158.77 41.23 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.053 1.741 . . . . 0.0 110.362 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.65 146.22 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.808 1.643 . . . . 0.0 109.058 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -118.89 151.9 37.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 37.4 t -67.38 137.55 56.06 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.319 1.448 . . . . 0.0 111.609 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -73.47 -22.55 60.14 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 50.1 t60 -86.05 -44.56 12.19 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.982 0.913 . . . . 0.0 113.14 -174.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 11.8 p -116.46 -3.89 11.83 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.287 0.7 OUTLIER 66.57 -5.83 0.58 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.415 2.286 . . . . 0.0 117.117 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -60.93 141.53 57.17 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.168 0.895 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 74.8 m95 -95.55 153.43 17.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.245 1.418 . . . . 0.0 113.45 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -139.21 155.58 47.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 127.83 2.452 . . . . 0.0 109.217 172.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -71.75 151.41 43.58 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.032 -1.043 . . . . 0.0 110.159 169.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.91 72.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.274 -0.891 . . . . 0.0 111.939 171.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -68.85 -44.43 69.04 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.742 1.163 . . . . 0.0 114.957 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . 0.268 7.8 p -68.37 -26.26 65.48 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.471 1.636 . . . . 0.0 113.282 175.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -88.1 6.96 33.84 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 169.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 7.1 t 57.13 28.7 15.38 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.433 1.893 . . . . 0.0 114.688 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.47 130.8 37.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.466 1.107 . . . . 0.0 109.881 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -74.21 -34.9 63.86 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 12.5 t -161.96 166.62 25.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.088 0.955 . . . . 0.0 111.628 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.77 -36.92 70.37 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.078 -1.014 . . . . 0.0 112.738 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.82 -34.15 77.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.619 174.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -72.2 -38.83 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.033 -1.042 . . . . 0.0 110.997 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 66.8 t -64.07 -43.89 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.799 0.84 . . . . 0.0 111.447 171.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.48 -38.65 88.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.648 0.779 . . . . 0.0 111.685 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -47.77 82.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.247 0.476 . . . . 0.0 110.607 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.74 76.39 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.461 0.573 . . . . 0.0 112.457 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.3 -49.56 54.75 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.779 1.232 . . . . 0.0 112.527 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.54 -33.08 75.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.154 0.982 . . . . 0.0 112.664 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.08 -17.04 60.53 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.04 0.936 . . . . 0.0 112.835 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 79.25 105.08 0.23 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.084 1.802 . . . . 0.0 112.76 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -71.58 140.09 49.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.291 0.636 . . . . 0.0 110.666 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -141.39 137.57 32.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.483 1.113 . . . . 0.0 111.01 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 38.2 m -59.05 164.53 2.95 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.355 1.462 . . . . 0.0 113.74 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 89.6 t -58.69 -31.9 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.316 1.047 . . . . 0.0 112.774 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 51.7 p -92.6 -30.53 15.57 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.54 1.536 . . . . 0.0 113.587 174.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 65.1 m -62.9 -31.13 72.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.924 0.89 . . . . 0.0 110.461 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.2 -57.6 24.92 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.254 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -51.15 -35.43 51.86 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.855 2.37 . . . . 0.0 114.478 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -71.85 -48.25 47.31 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.8 p -79.57 -36.84 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.55 1.54 . . . . 0.0 114.327 -176.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 12.6 t -85.05 57.94 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 126.125 1.77 . . . . 0.0 107.401 175.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.361 1.464 . . . . 0.0 112.699 -169.203 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 119.293 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.4 174.0 40.54 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 127.272 2.368 . . . . 0.0 114.998 2.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.9 -16.31 79.42 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.484 -177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.06 51.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.345 1.458 . . . . 0.0 112.896 -176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm105 -133.74 152.01 51.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.712 1.205 . . . . 0.0 110.112 169.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 63.22 17.97 10.62 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 C-N-CA 124.703 1.201 . . . . 0.0 . -178.573 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 5.6 tp 64.67 160.62 0.11 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 127.075 2.15 . . . . 0.0 112.692 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . 0.306 10.1 m 51.8 13.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 128.387 2.675 . . . . 0.0 116.402 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.849 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.6 m -164.35 132.81 3.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 128.349 2.659 . . . . 0.0 106.655 171.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 49.3 t -108.53 100.17 36.92 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 124.422 1.089 . . . . 0.0 109.048 168.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.88 -20.96 31.26 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.027 2.485 . . . . 0.0 114.709 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.16 -39.35 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.618 0.367 . . . . 0.0 110.728 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 92.7 m -98.29 -0.63 43.55 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 125.373 1.469 . . . . 0.0 113.537 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 8.5 m170 63.14 46.2 4.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 113.69 -171.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.849 ' HB2' HG23 ' B' 1506 ' ' THR 0.277 . . 70.76 20.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.398 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 169.627 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -68.83 137.16 37.52 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 CA-C-N 123.279 2.207 . . . . 0.0 109.456 169.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 29.0 t80 -154.1 127.39 8.49 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.843 -0.535 . . . . 0.0 111.879 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 24.1 t -142.9 145.98 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.982 1.713 . . . . 0.0 109.934 -175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.78 -27.96 65.49 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.023 -1.048 . . . . 0.0 113.577 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -66.43 -17.66 64.91 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.994 1.318 . . . . 0.0 114.007 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.68 142.98 57.84 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.41 133.61 52.85 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.443 1.097 . . . . 0.0 110.178 169.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.7 mp -131.32 160.95 33.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.539 1.536 . . . . 0.0 113.104 -170.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 21.4 tt -135.86 169.35 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 128.416 2.686 . . . . 0.0 108.225 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -144.23 141.61 29.97 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.766 0.826 . . . . 0.0 112.832 -170.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 52.7 t -64.81 139.78 58.8 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.659 1.184 . . . . 0.0 112.416 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -80.11 -21.16 43.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -87.12 -49.0 7.6 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 4.7 p -116.61 3.69 13.13 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.23 7.66 2.95 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 134.74 56.66 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.054 -1.029 . . . . 0.0 111.173 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . 0.541 ' CZ2' HH31 ' A' ' 16' ' ' ALY . 83.1 m95 -93.0 153.55 18.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.233 1.413 . . . . 0.0 113.159 172.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.65 151.43 28.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.288 1.835 . . . . 0.0 110.582 175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -59.69 157.02 12.64 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.005 -1.059 . . . . 0.0 111.898 171.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.19 86.58 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.266 -0.896 . . . . 0.0 112.093 169.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.86 97.14 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.337 0.97 . . . . 0.0 114.695 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 11.4 p -74.12 5.01 4.75 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 118.952 1.376 . . . . 0.0 113.848 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -120.71 9.11 10.69 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.554 1.941 . . . . 0.0 112.431 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 20.0 m 59.34 19.71 7.93 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.695 1.998 . . . . 0.0 115.122 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 51.9 mt -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.275 1.43 . . . . 0.0 108.976 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 86.3 t80 -75.93 -27.7 57.72 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 10.3 t -153.57 169.27 23.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 -170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.96 -32.92 73.4 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.452 1.101 . . . . 0.0 111.557 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.6 -39.09 89.95 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.989 0.813 . . . . 0.0 112.018 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -69.41 -38.76 78.07 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.259 -0.901 . . . . 0.0 111.673 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 14.7 t -63.17 -45.16 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.645 0.657 . . . . 0.0 112.062 172.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.11 -42.62 99.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.807 0.843 . . . . 0.0 111.643 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -46.78 88.95 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.572 0.624 . . . . 0.0 110.572 172.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.87 -31.72 71.72 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.85 -0.531 . . . . 0.0 112.303 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.64 58.75 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.306 1.442 . . . . 0.0 112.044 173.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.98 -30.88 71.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.49 1.116 . . . . 0.0 113.06 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.93 -7.55 52.75 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 113.72 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.99 98.48 0.37 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.919 1.723 . . . . 0.0 111.579 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.56 158.92 20.01 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -154.71 151.99 29.39 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.451 1.501 . . . . 0.0 113.048 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 5.9 p -83.35 176.16 9.32 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 124.031 1.872 . . . . 0.0 114.167 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -10.47 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 127.115 2.166 . . . . 0.0 113.792 -174.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 63.6 m -101.45 -39.9 7.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.623 1.169 . . . . 0.0 111.497 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 66.6 m -65.72 -33.17 75.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.675 0.79 . . . . 0.0 111.03 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -55.85 -57.64 20.53 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-O 117.354 -1.308 . . . . 0.0 113.478 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.77 -36.74 52.73 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.052 2.501 . . . . 0.0 114.731 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -71.71 -43.86 65.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.4 p -87.68 -34.29 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -171.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 46.1 t -63.01 127.36 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 110.007 -171.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 123.895 0.878 . . . . 0.0 111.971 -169.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 119.83 -0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.51 9.2 87.23 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.68 -176.31 47.43 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 116.607 1.403 . . . . 0.0 116.607 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.82 152.29 41.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.23 1.812 . . . . 0.0 112.093 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . 0.541 HH31 ' CZ2' ' B' 1529 ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -70.9 -24.86 62.56 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.84 0.856 . . . . 0.0 113.222 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.78 149.69 52.3 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 0.0 112.474 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.039 0 C-N-CA 125.515 1.526 . . . . 0.0 . -179.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . 0.257 55.2 tp 60.02 -71.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 128.512 2.725 . . . . 0.0 114.945 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 32.9 m -81.19 13.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.942 1.246 . . . . 0.0 113.556 -173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.925 HG23 ' HB2' ' B' 1512 ' ' ALA . 7.2 m -151.08 129.54 12.13 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 127.881 2.472 . . . . 0.0 106.612 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.6 t -107.56 100.34 33.88 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.77 -18.62 21.88 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.634 2.889 . . . . 0.0 114.748 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.4 -36.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.658 0.783 . . . . 0.0 110.921 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 58.0 m -83.71 -13.9 52.94 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.07 1.348 . . . . 0.0 113.567 169.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 61.9 m-70 67.49 38.41 3.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.692 1.997 . . . . 0.0 112.855 -168.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.925 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.59 20.46 0.0 OUTLIER Pre-proline 0 CA--C 1.563 1.472 1 N-CA-C 122.258 4.17 . . . . 0.0 122.258 170.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -75.04 57.28 4.54 Favored 'Trans proline' 0 CA--C 1.553 1.451 0 C-N-CA 123.876 3.051 . . . . 0.0 111.621 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 91.3 t80 -68.04 139.51 56.28 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.57 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 15.9 t -141.45 137.88 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.23 1.812 . . . . 0.0 108.963 170.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.96 -18.81 65.56 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.43 -23.05 61.02 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -79.36 123.01 27.08 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.06 0.944 . . . . 0.0 111.849 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.52 149.83 43.75 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.601 0.715 . . . . 0.0 112.482 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.6 mp -123.27 151.75 42.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.266 1.426 . . . . 0.0 113.32 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 11.7 tt -106.64 153.68 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 127.258 2.223 . . . . 0.0 108.509 169.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -123.87 123.96 41.6 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.861 0.864 . . . . 0.0 111.079 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 30.1 p -60.68 151.62 28.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.674 0.789 . . . . 0.0 112.296 172.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -90.9 -22.4 20.92 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -100.57 -29.16 12.49 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -170.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 -3.25 8.98 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . 0.355 0.7 OUTLIER 64.13 18.69 11.4 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 169.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -75.49 148.97 38.58 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.398 -1.439 . . . . 0.0 111.974 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 94.2 m95 -98.49 145.64 26.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.036 1.334 . . . . 0.0 113.606 174.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -151.65 157.86 42.68 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.518 1.927 . . . . 0.0 110.463 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 32.7 m80 -60.59 148.49 38.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.612 -1.305 . . . . 0.0 112.051 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.59 85.69 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.4 -27.54 73.15 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 123.451 0.548 . . . . 0.0 113.698 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 72.6 m -69.77 -11.55 60.94 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.988 1.315 . . . . 0.0 112.886 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.26 14.55 13.9 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.595 1.958 . . . . 0.0 112.692 169.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 23.7 m 64.72 19.25 11.77 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.736 2.014 . . . . 0.0 116.338 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.32 123.02 32.48 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.946 -1.096 . . . . 0.0 109.224 169.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -85.14 -17.02 38.53 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 29.4 p -142.0 165.17 28.19 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.096 1.358 . . . . 0.0 112.425 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -60.99 -33.84 73.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.559 -0.713 . . . . 0.0 111.918 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.05 -40.32 78.61 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.609 -0.682 . . . . 0.0 112.238 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.87 -38.62 91.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.231 -0.918 . . . . 0.0 111.953 172.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 40.1 t -63.71 -46.02 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.852 0.861 . . . . 0.0 112.1 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.57 -39.08 89.86 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.523 0.601 . . . . 0.0 111.107 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -45.09 96.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.138 0.975 . . . . 0.0 111.248 173.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.81 86.78 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.483 -0.761 . . . . 0.0 112.352 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.66 93.46 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.644 -0.66 . . . . 0.0 111.861 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -65.86 -29.63 70.11 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.667 0.787 . . . . 0.0 112.331 176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -78.24 2.84 17.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.146 1.378 . . . . 0.0 113.861 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 77.67 32.42 46.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.312 0.958 . . . . 0.0 115.205 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 30.7 t80 -44.87 133.96 5.95 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.56 1.544 . . . . 0.0 114.836 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -122.71 131.19 53.68 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.479 2.712 . . . . 0.0 111.621 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 1.4 p -87.51 -166.77 1.67 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 122.845 1.307 . . . . 0.0 112.395 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.4 t -72.61 -35.21 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 O-C-N 121.171 -0.955 . . . . 0.0 112.851 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.4 m -79.83 -17.14 54.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.338 1.055 . . . . 0.0 113.636 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 4.5 m -59.68 -35.75 75.1 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.154 -0.966 . . . . 0.0 110.49 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -56.56 -57.98 19.99 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.07 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -65.61 -25.69 54.47 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.211 1.941 . . . . 0.0 113.833 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -71.39 -46.39 60.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.059 1.3 . . . . 0.0 112.81 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 3.7 p -83.21 -32.89 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.0 m -132.77 57.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.855 1.662 . . . . 0.0 110.791 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 112.799 -175.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.4 0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.8 56.45 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 116.801 1.481 . . . . 0.0 116.801 -170.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.85 -26.04 6.28 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-N 119.271 1.536 . . . . 0.0 115.608 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.2 141.29 45.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.955 1.702 . . . . 0.0 111.94 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -141.68 143.27 33.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -171.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -66.85 146.63 54.21 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.984 1.314 . . . . 0.0 113.81 -171.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.193 0 C-N-CA 124.67 1.188 . . . . 0.0 . 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 4.3 pp -139.59 -13.71 1.12 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 41.8 t -78.9 -7.14 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.217 1.007 . . . . 0.0 113.026 -170.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' 1512 ' ' ALA . 40.0 m -134.54 117.46 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 48.4 t -109.52 93.18 13.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.709 1.204 . . . . 0.0 109.282 169.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -55.11 -16.48 12.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.917 3.078 . . . . 0.0 115.228 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 16.0 mt -70.05 -38.74 76.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 122.403 0.281 . . . . 0.0 111.157 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 22.5 p -99.98 -3.34 32.41 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 124.88 1.272 . . . . 0.0 112.981 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 33.4 t60 64.47 44.66 4.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.922 2.489 . . . . 0.0 113.89 -172.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.528 ' HB2' HG23 ' B' 1506 ' ' THR . . . 71.79 15.82 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.499 0 N-CA-C 121.171 3.767 . . . . 0.0 121.171 169.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.86 70.93 4.26 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.472 2.781 . . . . 0.0 111.475 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 30.8 t80 -65.97 138.38 57.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.599 1.16 . . . . 0.0 112.529 -173.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 2.7 t -143.68 146.63 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.871 1.268 . . . . 0.0 111.09 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -60.27 162.72 5.71 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.55 1.54 . . . . 0.0 111.971 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 62.48 -5.8 0.17 Allowed 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -67.48 -25.49 65.9 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.056 1.298 . . . . 0.0 113.206 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER 59.97 151.12 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 129.209 3.004 . . . . 0.0 114.833 -175.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.27 155.55 49.18 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -169.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.41 149.33 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.253 2.221 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -119.74 138.82 53.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.549 1.139 . . . . 0.0 113.537 -169.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' B' 1553 ' ' CYS . 43.6 t -71.38 127.13 31.56 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 120.877 0.37 . . . . 0.0 111.172 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -64.86 -21.38 66.79 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -91.8 -47.67 7.21 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.369 1.068 . . . . 0.0 112.129 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 89.9 m -88.73 -27.71 21.01 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 65.27 1.03 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.434 1.894 . . . . 0.0 115.312 -169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 146.66 50.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.113 0.965 . . . . 0.0 111.421 169.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.0 m95 -105.69 145.88 30.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.44 1.896 . . . . 0.0 113.15 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 11.0 mtm -133.71 149.44 51.5 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.879 2.072 . . . . 0.0 109.883 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.3 m80 -65.67 148.15 52.23 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.164 -0.96 . . . . 0.0 111.149 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.73 64.12 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.471 0.709 . . . . 0.0 112.88 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -73.36 -20.19 79.83 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.042 0.83 . . . . 0.0 114.554 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 41.3 m -61.64 -46.79 88.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.233 1.016 . . . . 0.0 111.343 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.84 -61.58 1.92 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 73.6 p -173.86 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.74 124.71 23.14 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.001 0.921 . . . . 0.0 111.83 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 50.3 t80 -80.91 -24.13 38.45 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 20.3 p -136.12 166.99 22.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.626 1.17 . . . . 0.0 113.321 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -61.95 -35.93 79.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.413 0.685 . . . . 0.0 112.182 171.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.25 -39.94 82.09 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.307 0.643 . . . . 0.0 112.054 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.77 -39.97 95.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.622 0.769 . . . . 0.0 111.708 174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 7.4 t -64.32 -43.89 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.811 0.844 . . . . 0.0 112.527 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.96 -39.33 91.75 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.156 0.889 . . . . 0.0 111.192 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -47.51 86.0 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.303 1.041 . . . . 0.0 111.297 171.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.73 78.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.464 -0.773 . . . . 0.0 112.56 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.52 80.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.684 1.194 . . . . 0.0 112.178 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -65.63 -30.84 71.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.59 0.756 . . . . 0.0 112.13 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.3 -9.47 58.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.597 1.159 . . . . 0.0 113.795 172.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 81.61 93.03 0.52 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.823 1.678 . . . . 0.0 112.194 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 64.4 t80 -82.06 152.46 26.6 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -137.81 139.32 39.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.613 1.965 . . . . 0.0 110.848 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' B' 1523 ' ' CYS . 12.9 p -69.61 -179.67 1.82 Allowed 'General case' 0 CA--C 1.553 1.061 0 CA-C-O 123.493 1.616 . . . . 0.0 114.989 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 60.3 t -51.94 -36.84 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 128.012 2.525 . . . . 0.0 113.52 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 47.5 m -90.71 -34.31 15.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.462 1.105 . . . . 0.0 112.489 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 57.0 m -65.61 -31.31 72.28 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.986 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.21 -56.67 21.69 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.0 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.24 -36.78 87.32 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.118 2.546 . . . . 0.0 114.28 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -71.56 -36.5 70.95 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 2.5 p -101.02 -28.14 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 -169.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 9.2 p -150.18 -25.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 125.37 1.468 . . . . 0.0 113.046 -174.408 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.489 0 CA-C-O 120.343 0.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.43 150.0 14.47 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.463 1.03 . . . . 0.0 113.222 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.07 -55.88 2.71 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.609 1.576 . . . . 0.0 114.483 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.29 137.96 29.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.052 1.741 . . . . 0.0 111.475 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -147.75 145.53 28.86 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.955 1.702 . . . . 0.0 110.65 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -148.17 148.28 30.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.889 1.276 . . . . 0.0 111.509 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.2 0 C-N-CA 125.386 1.474 . . . . 0.0 . -177.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.78 -27.74 55.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.395 1.078 . . . . 0.0 111.545 169.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 1.7 t -75.14 27.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.854 1.662 . . . . 0.0 111.729 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 4.0 m -151.54 110.4 3.86 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.94 1.696 . . . . 0.0 107.757 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . 0.445 ' H ' ' HA ' ' B' 1512 ' ' ALA . 33.4 t -109.81 86.46 4.77 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.047 1.739 . . . . 0.0 110.772 169.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.08 -19.48 11.89 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.132 3.221 . . . . 0.0 115.324 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.04 -43.57 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 122.982 0.513 . . . . 0.0 110.81 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 2.4 p -84.87 -71.3 0.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 67.9 m80 -157.45 -53.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.501 1.92 . . . . 0.0 111.583 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' B' 1507 ' ' CYS . . . 176.64 -41.97 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.312 2.645 . . . . 0.0 114.784 -171.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -56.09 130.33 39.66 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.014 3.142 . . . . 0.0 115.604 -168.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.83 54.92 3.06 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.035 0.934 . . . . 0.0 112.331 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 53.5 t -57.95 126.83 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.228 1.411 . . . . 0.0 111.633 -176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -83.75 -11.9 56.49 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.599 1.56 . . . . 0.0 114.503 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.26 -15.48 63.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.354 1.062 . . . . 0.0 113.837 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -121.77 135.87 54.93 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.974 1.709 . . . . 0.0 111.495 174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.46 160.34 32.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.802 0.441 . . . . 0.0 111.597 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 4.1 mp -119.68 157.56 28.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.093 1.357 . . . . 0.0 113.491 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.5 tt -122.23 146.44 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 127.776 2.431 . . . . 0.0 109.178 170.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -116.21 151.37 35.86 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 169.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 20.9 t -58.04 138.24 56.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.45 1.5 . . . . 0.0 112.396 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -67.03 -27.86 67.75 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -93.81 -50.81 5.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.866 0.867 . . . . 0.0 113.256 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 7.8 p -110.58 1.6 18.19 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 59.73 0.68 0.25 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.84 130.3 45.84 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.86 1.209 . . . . 0.0 111.053 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 97.1 m95 -86.74 148.74 25.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.446 1.498 . . . . 0.0 112.56 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.8 ptp -152.27 157.81 41.91 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.203 1.801 . . . . 0.0 110.026 171.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.52 143.97 57.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.892 -1.13 . . . . 0.0 111.653 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.71 91.75 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.331 0.652 . . . . 0.0 111.152 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.58 -29.15 74.31 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.944 0.783 . . . . 0.0 114.238 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 23.5 m -58.58 -41.49 85.89 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.376 1.088 . . . . 0.0 111.771 169.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -91.07 18.15 7.15 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 15.7 m 61.0 17.03 7.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.475 1.91 . . . . 0.0 115.566 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.4 116.13 21.73 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.782 1.633 . . . . 0.0 108.983 172.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -78.81 -25.42 44.24 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 11.0 t -154.25 170.28 21.63 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.411 1.084 . . . . 0.0 112.003 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.93 -35.5 73.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.42 1.088 . . . . 0.0 111.632 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.8 -34.23 76.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.846 0.748 . . . . 0.0 112.714 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -70.51 -37.52 74.15 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.92 0.782 . . . . 0.0 111.786 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.78 -45.86 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.246 1.018 . . . . 0.0 111.984 174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.65 -45.89 84.91 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.866 1.266 . . . . 0.0 111.195 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -46.61 86.24 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.684 0.794 . . . . 0.0 111.926 172.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.05 98.91 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.857 0.753 . . . . 0.0 111.547 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.06 93.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.846 0.858 . . . . 0.0 112.851 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.17 -30.15 71.04 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.549 0.74 . . . . 0.0 112.571 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -79.73 -6.6 57.55 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.312 1.445 . . . . 0.0 113.609 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 82.53 65.7 1.6 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.808 1.67 . . . . 0.0 113.39 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.05 116.09 6.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.491 1.117 . . . . 0.0 113.636 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.96 143.18 33.21 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.314 1.846 . . . . 0.0 109.997 169.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.1 p -76.4 -176.35 3.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 123.608 1.671 . . . . 0.0 114.75 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . 0.41 HG23 ' H ' ' B' 1554 ' ' VAL . 0.5 OUTLIER -63.96 -10.28 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 127.71 2.404 . . . . 0.0 113.296 -178.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 27.8 t -111.59 -41.23 4.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.644 1.578 . . . . 0.0 111.771 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 64.0 m -64.8 -36.07 83.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.6 -55.21 45.39 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.719 171.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -46.95 -39.03 24.57 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.878 2.385 . . . . 0.0 115.179 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.37 -40.94 57.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -32.77 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -174.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.29 119.87 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.95 0.9 . . . . 0.0 110.724 -170.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.083 2.153 . . . . 0.0 112.185 -174.209 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 120.042 -0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.06 -150.64 34.16 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.833 1.206 . . . . 0.0 113.315 -175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.22 10.27 69.08 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 172.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.75 151.39 21.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.728 1.611 . . . . 0.0 113.162 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -74.5 -36.69 63.23 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.688 0.795 . . . . 0.0 113.009 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -69.26 162.82 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.85 1.66 . . . . 0.0 113.052 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.966 0.906 . . . . 0.0 . 174.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 6.0 mp -132.88 -39.97 0.95 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.845 1.658 . . . . 0.0 111.315 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 84.7 t -140.43 126.98 21.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 126.425 1.89 . . . . 0.0 106.687 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . . . . . . . . . 31.1 m -73.16 14.0 0.36 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.928 2.091 . . . . 0.0 112.823 -170.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 8.6 t 1.34 82.12 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 129.299 3.04 . . . . 0.0 115.072 -170.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -56.08 -16.59 17.12 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.863 3.042 . . . . 0.0 115.501 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.49 -38.29 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.298 0.639 . . . . 0.0 111.113 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.4 p -103.3 -4.32 24.4 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 125.768 1.627 . . . . 0.0 113.154 169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . 0.264 42.5 t60 61.83 54.78 2.79 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.896 2.478 . . . . 0.0 114.072 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . . . . . . . . . . . 70.88 14.81 0.0 OUTLIER Pre-proline 0 CA--C 1.564 1.506 1 N-CA-C 122.532 4.271 . . . . 0.0 122.532 169.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.75 55.47 3.27 Favored 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.812 3.008 . . . . 0.0 112.661 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.21 128.02 35.03 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.83 1.252 . . . . 0.0 112.338 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 13.1 p -154.36 134.53 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.302 1.441 . . . . 0.0 110.229 170.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -69.33 -8.36 45.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -63.66 -36.03 82.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.087 0.955 . . . . 0.0 111.836 169.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -80.94 120.84 25.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.548 0.739 . . . . 0.0 109.596 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.87 149.54 49.71 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.448 0.642 . . . . 0.0 112.375 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.5 mp -122.59 154.33 38.09 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.917 1.287 . . . . 0.0 112.928 -171.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 13.1 tt -112.03 156.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 127.993 2.517 . . . . 0.0 108.378 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -122.72 140.18 53.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.433 1.093 . . . . 0.0 111.758 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 44.4 t -69.41 128.28 35.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.133 0.492 . . . . 0.0 111.432 170.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -63.92 -22.6 66.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.758 1.223 . . . . 0.0 113.98 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -101.02 -43.5 6.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.992 1.317 . . . . 0.0 112.769 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 76.5 m -90.48 -25.17 20.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.519 1.128 . . . . 0.0 112.952 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 66.03 8.3 5.34 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.129 1.772 . . . . 0.0 114.3 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.61 147.51 30.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.215 1.406 . . . . 0.0 111.201 173.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 95.7 m95 -93.78 151.55 19.53 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.316 1.447 . . . . 0.0 112.78 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -151.78 154.96 37.27 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.672 1.589 . . . . 0.0 109.984 170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.49 144.63 55.58 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.472 -1.392 . . . . 0.0 112.187 -175.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.41 90.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.887 0.475 . . . . 0.0 112.09 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.96 92.54 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.504 0.573 . . . . 0.0 113.538 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 96.4 m -58.71 -32.84 69.54 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.609 1.164 . . . . 0.0 112.173 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -97.6 10.44 39.88 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.742 1.617 . . . . 0.0 114.809 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 2.1 t 66.71 25.92 9.68 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.385 1.874 . . . . 0.0 115.782 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.86 132.04 46.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.127 1.371 . . . . 0.0 108.763 169.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -108.14 -0.36 21.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 9.8 t -159.04 167.13 30.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.438 1.495 . . . . 0.0 110.552 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.16 -37.62 72.36 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.212 -0.93 . . . . 0.0 111.408 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.2 -34.09 76.89 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.31 -39.6 74.72 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.181 -0.949 . . . . 0.0 111.398 174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.34 -43.06 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 121.609 -0.682 . . . . 0.0 111.93 173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -59.47 -40.0 85.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.887 1.275 . . . . 0.0 111.296 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -45.77 86.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.935 -0.478 . . . . 0.0 110.28 173.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.68 85.03 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.24 82.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.104 0.962 . . . . 0.0 112.537 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.5 -32.21 73.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.477 0.711 . . . . 0.0 112.576 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.02 -2.55 37.7 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.682 1.593 . . . . 0.0 113.83 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 75.55 50.6 7.97 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.471 1.034 . . . . 0.0 114.435 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 58.9 t80 -52.04 122.12 7.92 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.097 1.359 . . . . 0.0 113.522 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.28 144.68 42.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.787 2.035 . . . . 0.0 109.644 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 13.9 p -84.07 -175.53 5.84 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 123.523 1.63 . . . . 0.0 115.33 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 3.8 t -67.23 -38.25 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.324 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 24.9 m -74.44 -22.02 59.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.243 -0.911 . . . . 0.0 112.674 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.72 78.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.777 0.831 . . . . 0.0 110.285 174.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -54.47 -57.58 18.03 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.9 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.05 -31.09 55.84 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.372 2.048 . . . . 0.0 114.176 172.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -65.99 -43.03 88.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.806 1.184 . . . . 0.0 112.885 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 1.9 p -93.0 -28.44 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 10.6 p -151.43 -35.34 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 125.883 1.673 . . . . 0.0 113.175 -175.635 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 120.19 0.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -155.4 40.7 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.807 1.194 . . . . 0.0 113.316 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.04 71.24 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.93 146.82 26.89 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.346 1.573 . . . . 0.0 113.079 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -155.06 146.33 22.87 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.463 1.505 . . . . 0.0 111.121 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -62.5 149.3 43.28 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.334 1.054 . . . . 0.0 113.088 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.775 1.23 . . . . 0.0 . 179.122 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 -36.73 84.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.549 1.14 . . . . 0.0 110.401 169.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 2.1 t -78.16 26.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 C-N-CA 126.194 1.798 . . . . 0.0 111.993 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.507 HG23 ' HB2' ' B' 1512 ' ' ALA . 30.2 m -146.79 116.71 7.24 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.07 1.748 . . . . 0.0 107.298 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 52.7 t -113.98 95.03 36.56 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.617 1.167 . . . . 0.0 108.879 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -54.66 -14.7 7.93 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 124.077 3.185 . . . . 0.0 115.659 175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.0 -41.44 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 117.87 0.305 . . . . 0.0 110.71 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 21.8 p -97.68 -3.4 39.35 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.844 1.258 . . . . 0.0 113.245 169.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 35.1 t60 63.46 47.2 3.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.086 2.555 . . . . 0.0 114.023 -172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' B' 1506 ' ' THR . . . 70.8 18.36 0.0 OUTLIER Pre-proline 0 CA--C 1.566 1.595 0 N-CA-C 121.264 3.802 . . . . 0.0 121.264 169.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.87 66.47 4.94 Favored 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.811 3.007 . . . . 0.0 111.237 169.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.6 147.67 52.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.147 1.379 . . . . 0.0 112.905 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 14.4 p -146.42 134.02 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.083 1.353 . . . . 0.0 110.594 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.54 -22.84 61.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -70.01 -23.42 63.13 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -80.57 151.8 28.92 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.88 141.47 33.36 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.01 1.724 . . . . 0.0 110.486 174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.68 156.77 29.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.581 1.152 . . . . 0.0 113.349 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.6 tt -126.96 153.1 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 128.835 2.854 . . . . 0.0 110.085 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -127.67 137.95 52.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.18 1.392 . . . . 0.0 113.061 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 43.9 t -67.1 130.1 42.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.467 0.707 . . . . 0.0 111.814 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.31 65.54 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -89.99 -54.14 4.17 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.81 0.732 . . . . 0.0 112.63 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 38.9 m -87.49 -17.38 32.27 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.06 1.344 . . . . 0.0 114.387 -169.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 59.86 7.92 1.25 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.885 1.674 . . . . 0.0 114.886 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 57.5 mmt-85 -75.29 152.2 38.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.967 1.307 . . . . 0.0 111.158 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 81.3 m95 -110.23 152.19 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.579 1.552 . . . . 0.0 114.494 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.78 158.64 43.54 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 127.208 2.203 . . . . 0.0 109.894 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 34.6 m80 -71.19 142.78 50.64 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.65 -1.281 . . . . 0.0 110.557 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.19 96.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.591 0.756 . . . . 0.0 111.87 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -66.33 -34.07 86.87 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.748 0.689 . . . . 0.0 113.86 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 73.8 m -60.33 -42.47 95.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.019 0.928 . . . . 0.0 111.72 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -84.7 11.19 9.47 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 4.8 t 65.73 16.97 10.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.046 2.138 . . . . 0.0 116.424 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.99 132.12 35.36 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.681 -1.262 . . . . 0.0 109.9 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.69 -34.82 67.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 15.0 t -160.63 175.21 12.92 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.744 1.217 . . . . 0.0 111.288 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.95 -34.8 73.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.988 -1.07 . . . . 0.0 113.113 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -63.2 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.109 0.957 . . . . 0.0 112.361 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.87 -32.36 69.32 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.438 -0.789 . . . . 0.0 111.643 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 73.9 t -69.35 -36.96 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.142 -0.973 . . . . 0.0 111.406 169.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.74 -35.43 79.74 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.47 1.032 . . . . 0.0 111.591 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -44.02 97.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 0.0 111.079 169.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.52 87.72 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.738 -0.601 . . . . 0.0 112.409 175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.28 87.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 112.446 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.54 -31.8 73.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.779 0.832 . . . . 0.0 111.882 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -78.97 -2.05 38.25 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.91 1.284 . . . . 0.0 113.594 171.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 72.05 48.59 25.64 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.978 1.275 . . . . 0.0 114.119 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.08 132.96 15.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 6.7 p30 -139.66 148.58 42.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.143 1.777 . . . . 0.0 111.866 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . 0.266 14.2 p -82.66 -125.35 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.53 -33.52 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -170.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 65.8 p -85.1 -23.1 28.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.859 1.209 . . . . 0.0 113.741 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.6 p -62.33 -39.19 92.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.985 1.314 . . . . 0.0 112.058 170.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -52.24 -52.04 66.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.346 1.458 . . . . 0.0 113.18 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -75.24 -34.66 3.46 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.786 2.324 . . . . 0.0 114.446 170.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -84.61 -78.98 0.23 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.509 1.049 . . . . 0.0 113.362 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.71 -38.39 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -27.22 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.789 1.236 . . . . 0.0 110.807 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 128.547 2.739 . . . . 0.0 113.852 -177.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 120.339 0.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 -118.77 10.26 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.77 62.25 2.01 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.816 1.198 . . . . 0.0 112.901 171.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.24 150.14 45.16 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.971 1.709 . . . . 0.0 112.517 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.76 165.91 26.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.609 1.564 . . . . 0.0 111.878 173.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.88 -172.54 2.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.531 1.532 . . . . 0.0 110.944 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 C-N-CA 124.538 1.135 . . . . 0.0 . -179.774 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 100.0 p . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.21 -21.03 0.29 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -174.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 18.9 t -72.48 -10.43 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.86 HG23 ' HB2' ' B' 1512 ' ' ALA . 19.9 m -138.91 130.08 26.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.448 1.499 . . . . 0.0 107.381 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 40.4 t -107.05 97.17 17.01 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 125.046 1.339 . . . . 0.0 109.432 169.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.57 -18.76 27.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 123.524 2.816 . . . . 0.0 114.549 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 7.9 mt -73.41 -37.9 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.003 0.365 . . . . 0.0 110.623 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 93.5 m -94.84 -7.02 41.47 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.523 1.529 . . . . 0.0 113.722 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 6.8 m170 65.58 42.0 3.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.929 2.091 . . . . 0.0 113.492 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.86 ' HB2' HG23 ' B' 1506 ' ' THR . . . 68.92 21.15 0.01 OUTLIER Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 169.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.37 -23.39 20.6 Favored 'Trans proline' 0 C--N 1.359 1.086 0 CA-C-N 123.567 2.31 . . . . 0.0 113.873 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 37.9 t80 51.09 69.08 0.69 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.956 2.103 . . . . 0.0 114.274 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 61.5 t -78.78 96.12 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 121.614 0.721 . . . . 0.0 109.884 171.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -26.1 63.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.489 1.116 . . . . 0.0 113.506 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.01 -12.1 61.36 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.676 1.19 . . . . 0.0 113.916 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.92 -16.37 62.11 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . 0.304 0.2 OUTLIER 66.93 152.83 0.08 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.38 2.272 . . . . 0.0 112.133 -169.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.15 160.62 34.22 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.833 1.253 . . . . 0.0 113.026 -169.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 20.9 tt -134.91 158.01 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 127.71 2.404 . . . . 0.0 108.667 177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.94 150.86 46.17 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.018 0.913 . . . . 0.0 113.452 171.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.9 t -66.43 136.11 55.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.773 1.229 . . . . 0.0 110.935 169.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -68.99 -25.51 64.55 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 85.6 t60 -87.31 -54.38 4.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.733 0.813 . . . . 0.0 113.104 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 12.8 p -101.73 -1.77 31.71 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 63.11 -4.14 0.3 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 127.54 2.336 . . . . 0.0 116.462 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -62.37 138.29 58.42 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.219 -0.926 . . . . 0.0 111.438 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 85.3 m95 -96.13 150.28 20.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.023 1.729 . . . . 0.0 112.72 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.96 154.95 37.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.507 1.923 . . . . 0.0 109.997 175.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 17.3 m80 -70.33 155.88 40.06 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.232 -0.917 . . . . 0.0 111.385 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.42 92.28 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.467 -0.771 . . . . 0.0 112.385 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.74 97.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.151 0.882 . . . . 0.0 114.251 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 27.7 p -74.25 7.99 2.45 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 118.769 1.284 . . . . 0.0 114.086 174.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -125.39 11.84 8.08 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.704 2.002 . . . . 0.0 112.421 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 21.9 m 58.12 25.56 12.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.778 1.631 . . . . 0.0 113.998 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 53.8 mt -92.56 84.8 5.13 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.394 1.478 . . . . 0.0 107.642 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.29 -4.52 30.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -169.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 63.6 p -142.85 162.72 34.73 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 112.038 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.79 -28.86 70.16 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.083 -1.011 . . . . 0.0 112.118 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -67.38 -39.68 85.67 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.546 0.739 . . . . 0.0 112.578 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -63.12 -39.44 94.7 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.28 -0.887 . . . . 0.0 112.092 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 25.5 t -64.67 -45.13 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.802 0.841 . . . . 0.0 112.545 172.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -61.03 -42.25 98.12 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.354 0.979 . . . . 0.0 111.561 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -46.9 86.74 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.317 1.047 . . . . 0.0 111.475 171.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.92 87.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.478 -0.764 . . . . 0.0 112.099 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.02 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.498 1.119 . . . . 0.0 112.003 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.11 -31.07 71.72 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.572 0.749 . . . . 0.0 112.533 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.22 -12.57 59.96 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.58 1.152 . . . . 0.0 113.554 172.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 80.08 91.7 0.44 Allowed Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.462 1.506 . . . . 0.0 112.091 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 37.5 t80 -74.94 158.83 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.57 141.19 27.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.975 1.31 . . . . 0.0 112.919 169.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 11.0 p -70.66 176.34 4.24 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 123.509 1.623 . . . . 0.0 113.096 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.2 t -66.82 -39.52 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.823 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 2.7 m -65.13 -25.06 67.6 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.662 1.185 . . . . 0.0 113.214 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 9.6 m -82.52 -18.31 41.96 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.029 0.932 . . . . 0.0 112.25 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . 0.442 ' HB2' ' HD3' ' B' 1558 ' ' PRO . 34.9 mm-40 -64.65 -48.01 74.63 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-O 117.687 -1.149 . . . . 0.0 111.075 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' B' 1557 ' ' GLN . 46.4 Cg_exo -69.69 -37.4 9.4 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 122.417 2.078 . . . . 0.0 114.391 169.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -79.1 -81.68 0.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 113.27 -174.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.7 p -80.05 -39.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -170.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 43.8 t -73.52 -26.48 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.728 0.811 . . . . 0.0 110.456 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 C--O 1.238 0.469 0 C-N-CA 128.377 2.671 . . . . 0.0 112.816 175.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 119.443 -0.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.35 176.73 47.34 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 127.151 2.31 . . . . 0.0 114.738 2.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.23 88.28 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.44 151.97 50.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.722 1.609 . . . . 0.0 112.288 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -147.75 146.73 29.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.811 1.245 . . . . 0.0 111.476 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -66.36 153.4 42.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.944 0.898 . . . . 0.0 112.435 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 124.845 1.258 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1503 ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1504 ' ' LEU . . . . . . . . . . . . . 76.8 mt -86.67 1.17 52.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.014 1.726 . . . . 0.0 113.555 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1505 ' ' VAL . . . . . . . . . . . . . 10.8 t -133.5 -13.08 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.713 1.205 . . . . 0.0 112.909 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1506 ' ' THR . . . . . 0.892 HG23 ' HB2' ' B' 1512 ' ' ALA . 5.5 m -153.16 133.88 13.82 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 126.562 1.945 . . . . 0.0 107.548 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1507 ' ' CYS . . . . . . . . . . . . . 47.5 t -106.67 98.94 22.46 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 124.851 1.26 . . . . 0.0 109.173 168.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1508 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.58 -19.28 29.16 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 123.556 2.837 . . . . 0.0 114.884 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1509 ' ' ILE . . . . . . . . . . . . . 14.7 mt -74.24 -42.39 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.139 0.427 . . . . 0.0 110.509 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1510 ' ' CYS . . . . . . . . . . . . . 96.3 m -85.76 -9.0 57.8 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 125.176 1.39 . . . . 0.0 113.332 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1511 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 65.84 41.27 3.89 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 127.038 2.135 . . . . 0.0 113.433 -169.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1512 ' ' ALA . . . . . 0.892 ' HB2' HG23 ' B' 1506 ' ' THR 0.289 . . 74.06 15.15 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.407 1 N-CA-C 121.914 4.042 . . . . 0.0 121.914 170.9 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B 1513 ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.45 76.32 4.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 CA-C-N 123.828 2.403 . . . . 0.0 109.445 169.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1514 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -76.1 72.32 2.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.651 1.18 . . . . 0.0 112.206 -171.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1515 ' ' VAL . . . . . . . . . . . . . 78.2 t -65.15 126.42 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.448 1.499 . . . . 0.0 110.084 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1516 ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -72.24 -41.08 67.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1517 ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.0 -5.04 47.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -174.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1518 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.8 124.08 27.53 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 110.812 169.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1519 ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.21 150.23 45.52 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1520 ' ' LEU . . . . . . . . . . . . . 2.4 mp -128.86 160.02 33.95 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.044 1.338 . . . . 0.0 113.262 -170.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1521 ' ' ILE . . . . . . . . . . . . . 17.1 tt -139.91 150.71 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.206 2.202 . . . . 0.0 109.683 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1522 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -117.8 155.0 30.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 113.947 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1523 ' ' CYS . . . . . . . . . . . . . 41.3 t -58.54 143.01 47.4 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.215 1.006 . . . . 0.0 113.489 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1524 ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -56.58 -23.36 40.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.491 2.316 . . . . 0.0 115.169 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1525 ' ' HIS . . . . . . . . . . . . . 77.0 t60 -128.51 -53.58 1.26 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.117 0.967 . . . . 0.0 112.912 -173.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1526 ' ' CYS . . . . . . . . . . . . . 3.7 m -74.71 -17.1 60.71 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.238 1.015 . . . . 0.0 112.517 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1527 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 62.7 3.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.501 2.321 . . . . 0.0 116.363 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1528 ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.04 127.56 31.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.379 1.072 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1529 ' ' TRP . . . . . . . . . . . . . 90.4 m95 -87.33 151.66 22.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.5 1.52 . . . . 0.0 113.65 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1530 ' ' MET . . . . . . . . . . . . . 2.9 ptp -157.66 157.03 32.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.811 1.644 . . . . 0.0 110.256 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1531 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.49 154.24 25.09 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.489 -0.757 . . . . 0.0 110.798 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1532 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.23 91.08 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 121.263 -0.898 . . . . 0.0 112.24 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1533 ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.97 85.96 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.419 0.928 . . . . 0.0 115.419 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1534 ' ' CYS . . . . . . . . . . . . . 7.2 p -77.18 -0.85 26.61 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 118.628 1.214 . . . . 0.0 114.178 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1535 ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -126.73 25.65 6.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.94 1.696 . . . . 0.0 112.403 169.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1536 ' ' SER . . . . . . . . . . . . . 25.1 m 55.54 32.32 18.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.674 1.59 . . . . 0.0 114.136 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1537 ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.88 142.01 38.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.965 2.106 . . . . 0.0 109.449 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1538 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -125.05 -98.03 0.42 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1539 ' ' THR . . . . . . . . . . . . . 33.3 p -67.83 162.27 24.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.628 1.171 . . . . 0.0 113.125 -169.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1540 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.77 -27.94 69.09 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.685 -1.259 . . . . 0.0 113.018 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1541 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.67 -43.55 68.89 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.721 0.691 . . . . 0.0 112.298 172.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1542 ' ' ASP . . . . . . . . . . . . . 34.1 t0 -63.18 -40.76 98.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.747 1.219 . . . . 0.0 111.526 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1543 ' ' VAL . . . . . . . . . . . . . 49.5 t -65.0 -44.94 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 126.529 1.932 . . . . 0.0 112.149 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1544 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.51 -39.31 94.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.51 1.05 . . . . 0.0 111.62 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1545 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -44.8 86.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 169.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1546 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.2 82.41 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.849 0.75 . . . . 0.0 112.705 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1547 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.1 84.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.745 0.818 . . . . 0.0 112.096 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1548 ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.54 -32.29 73.81 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.785 0.834 . . . . 0.0 112.28 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1549 ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -77.27 -6.95 55.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.312 1.445 . . . . 0.0 113.985 172.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1550 ' ' GLY . . . . . . . . . . . . . . . 73.74 61.21 3.4 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.427 1.013 . . . . 0.0 113.349 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1551 ' ' PHE . . . . . . . . . . . . . 49.9 t80 -45.03 146.99 0.74 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.883 1.673 . . . . 0.0 112.65 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1552 ' ' ASP . . . . . . . . . . . . . 13.2 p30 -144.26 148.22 34.59 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1553 ' ' CYS . . . . . . . . . . . . . 9.5 p -86.1 -136.86 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1554 ' ' VAL . . . . . . . . . . . . . 2.0 t -110.75 -40.75 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1555 ' ' SER . . . . . . . . . . . . . 20.9 t -66.83 -23.62 66.06 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 122.625 1.202 . . . . 0.0 113.174 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1556 ' ' CYS . . . . . . . . . . . . . 1.7 p -76.58 -24.78 53.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.67 1.588 . . . . 0.0 113.234 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1557 ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -56.03 -47.11 99.47 Favored Pre-proline 0 CA--C 1.549 0.928 0 CA-C-O 117.787 -1.101 . . . . 0.0 112.724 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1558 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -79.03 -40.81 0.25 Allowed 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.054 1.836 . . . . 0.0 114.079 169.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1559 ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -94.2 -24.83 17.34 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 118.364 2.728 . . . . 0.0 118.364 -168.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1560 ' ' VAL . . . . . . . . . . . . . 10.4 p -154.06 75.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.674 1.579 . . . . 0.0 113.326 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1561 ' ' VAL . . . . . . . . . . . . . 26.8 m -70.39 144.78 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.764 -1.21 . . . . 0.0 110.321 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1562 ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 179.387 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 120.16 0.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.82 -20.11 63.89 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.292 0.948 . . . . 0.0 115.077 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 8.31 40.46 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.094 1.33 . . . . 0.0 115.061 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.97 158.04 42.48 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.3 1.55 . . . . 0.0 113.652 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -70.45 -19.31 62.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -151.69 155.57 38.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.465 1.506 . . . . 0.0 111.312 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.03 0 C-N-CA 125.306 1.442 . . . . 0.0 . 179.754 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1601 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1602 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_